data_2dhi_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 2dhi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.26 -56.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -145.8 121.08 10.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.461 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 62.5 p -115.78 131.66 56.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.439 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.78 179.8 39.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.48 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 68.7 m95 -97.1 137.2 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 37.3 mt -150.2 146.89 27.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.96 154.69 26.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -144.54 124.18 13.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.51 103.71 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 t -76.42 160.92 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.6 m -85.1 -20.79 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.94 -36.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.7 mt -89.78 -12.28 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.2 mttt 36.11 42.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -156.14 167.03 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -83.4 124.15 30.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -126.2 128.33 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 121.7 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -126.46 176.8 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.461 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 69.8 t-105 -118.35 110.38 17.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.409 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 36.9 m-85 -98.93 156.55 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 5.7 m-20 -159.07 112.57 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 tp -87.18 138.31 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -91.37 172.01 8.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -73.08 -28.28 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.07 5.46 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.75 -36.91 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -43.65 137.52 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.7 tp -120.74 130.78 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.1 mt -136.67 132.98 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -119.11 149.76 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 50.9 m-85 -113.77 -179.42 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.53 -35.67 34.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.49 179.78 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -55.71 -21.3 17.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.9 p -61.03 -30.93 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.49 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 19.6 mtm180 57.32 38.83 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -103.81 -39.49 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -97.39 82.07 3.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.67 95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.99 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -166.5 177.36 6.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -139.47 132.52 29.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.478 HG11 ' CB ' ' A' ' 57' ' ' ASP . 21.6 t -147.26 148.59 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.461 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.9 166.49 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.629 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 25.9 mmm -101.45 -69.9 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.79 3.27 2.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -122.19 -50.38 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' CB ' HG11 ' A' ' 52' ' ' VAL . 2.8 t70 -85.59 -45.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . 18.7 t -86.24 132.72 33.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.5 pt -110.39 -34.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -134.87 155.33 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.4 mt -129.82 114.3 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -110.54 147.45 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.5 p -140.69 131.35 25.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.32 -140.74 21.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.567 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 71.7 m80 -59.86 -26.05 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 121.657 0.742 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.29 57.48 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -174.85 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.4 147.11 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.37 40.97 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -149.91 137.56 11.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -164.6 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.567 ' HD3' ' CD2' ' A' ' 65' ' ' HIS . 13.6 ttt180 -112.82 -31.02 6.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -22.03 66.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.47 6.74 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.88 143.61 28.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 tp -139.84 118.44 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -115.49 156.09 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 58' ' ' CYS . 18.6 mm -131.03 108.07 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.8 t -81.5 111.1 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.21 171.84 14.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -61.77 -73.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -44.6 -57.67 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.6 -26.49 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -38.17 132.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.4 m -128.69 123.22 32.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.2 mt -105.09 124.39 59.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 m -97.94 117.8 33.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.409 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -119.45 162.66 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 49.0 t -146.59 130.9 17.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.86 160.02 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -55.57 -43.45 75.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -152.86 159.58 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -40.05 -42.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -55.89 19.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.15 -45.49 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 54.0 t -57.78 -55.03 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -49.94 -49.28 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.54 -53.69 42.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.435 ' CD1' HD13 ' A' ' 14' ' ' LEU . 36.2 m95 -58.25 -58.61 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -43.71 -56.97 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -56.61 -43.45 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m -56.86 -41.64 78.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.3 mt -68.65 -52.68 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.523 ' NE2' ' CZ ' ' A' ' 113' ' ' ARG . 32.7 mm-40 -52.07 -19.82 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.87 -45.3 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.9 p -62.62 -11.68 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.523 ' CZ ' ' NE2' ' A' ' 110' ' ' GLN . 51.2 mtm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -49.28 -59.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -144.6 142.45 30.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -138.02 136.31 36.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.58 165.28 37.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -77.92 125.46 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 105' ' ' TRP . 39.3 mt -141.99 148.58 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -88.54 151.78 22.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NH1' ' CZ ' ' A' ' 39' ' ' TYR . 47.4 ttt180 -142.24 116.53 9.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.68 106.82 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 p -68.27 164.74 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -96.57 -18.58 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 91.5 mt -94.6 -54.43 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.1 mp -78.1 -13.38 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 46.42 39.35 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -142.81 160.29 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -77.46 115.14 16.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.62 132.09 56.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 124.24 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -133.25 154.81 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 53.5 t-105 -92.49 128.81 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 61.0 m-85 -116.44 148.27 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 3.6 m-20 -155.8 112.78 3.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tp -88.27 142.85 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -96.15 174.75 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -77.25 -30.11 54.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -7.22 57.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.21 -28.78 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -54.85 135.85 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.4 tp -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.3 mt -131.46 135.65 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -125.27 148.87 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 m-85 -118.03 164.71 14.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -66.36 -39.77 89.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p30 -144.22 -178.17 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.5 -28.87 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.2 p -58.43 -13.76 6.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 16.8 mtt85 42.75 41.15 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.34 -12.95 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -129.26 90.02 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.37 97.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -48.92 -68.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 5.9 m-20 -164.08 159.91 21.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.11 137.05 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.2 t -150.46 139.36 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.467 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -82.95 167.51 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -103.8 -70.39 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.78 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 13.2 t -122.52 -49.12 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.49 -43.15 10.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.465 ' SG ' ' CG2' ' A' ' 84' ' ' ILE . 36.9 t -85.01 136.1 33.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -114.57 -30.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -140.25 170.69 15.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.3 mt -140.54 108.28 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -97.01 131.45 43.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 p -145.08 149.06 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.86 -124.86 7.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -88.36 15.56 7.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 147.5 62.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.38 21.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -43.7 129.77 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.408 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 87.97 20.79 48.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 18.2 mmtp -146.58 139.58 14.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -164.37 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -102.91 -41.72 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -53.27 -17.71 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.0 p -91.5 15.36 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.7 mt -99.3 131.59 45.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -127.02 130.49 50.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -131.6 150.58 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.465 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 7.8 mm -125.52 117.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -86.53 120.98 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 49.4 m -89.18 175.42 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -72.39 -67.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.91 -60.47 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 33.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -101.9 102.83 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -92.31 126.62 37.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.462 HG23 ' CZ ' ' A' ' 16' ' ' ARG . 72.5 mt -106.66 119.51 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -95.78 123.77 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.407 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -128.38 162.67 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.1 t -144.59 131.4 20.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.61 171.12 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.54 -35.21 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -158.89 161.55 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.5 m -42.78 -43.45 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -56.23 -44.79 79.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.77 -51.56 61.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.1 t -55.75 -49.19 73.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 107' ' ' PHE . 26.3 mt -58.01 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.34 -45.87 17.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.549 ' CD1' HD13 ' A' ' 14' ' ' LEU . 37.4 m95 -69.8 -41.81 74.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -58.59 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 103' ' ' LEU . 15.1 m-85 -56.44 -45.64 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.7 m -65.66 -46.66 78.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.58 -37.03 84.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -66.84 -27.65 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -94.14 -13.98 26.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.3 p -84.96 -24.22 28.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.7 t -48.85 -60.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 41.9 tttp -148.61 128.85 13.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.487 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 62.4 p -118.23 133.1 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.94 177.91 40.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.54 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 77.0 m95 -97.79 144.02 27.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 58.8 mt -155.6 147.51 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.56 122.13 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -111.46 126.49 55.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -75.25 129.53 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -91.83 159.37 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 p -100.74 5.69 43.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.0 -27.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.69 -5.69 15.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp 41.43 45.74 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -150.02 162.22 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -83.66 129.13 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 136.37 52.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.6 tttm -68.99 132.73 47.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -139.4 165.96 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.484 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 51.4 t-105 -111.23 110.01 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 74.0 m-85 -98.65 156.18 16.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.487 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 32.4 m-20 -158.77 112.87 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' VAL . 10.7 tp -88.35 139.67 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.0 m0 -92.45 155.02 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -54.95 -31.63 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.4 -24.25 60.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.24 -26.03 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -52.48 140.71 21.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 tp -118.16 130.02 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -138.28 129.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -116.21 156.35 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 41.5 m-85 -123.57 172.5 8.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -75.23 -34.0 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.7 p30 -153.68 178.43 9.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -56.66 -34.02 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.0 p -56.89 -20.18 21.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.517 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 55.0 mtm180 45.59 40.17 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -100.3 -15.72 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -125.23 78.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.5 mt -48.19 120.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 11.1 mm-40 -72.02 -56.12 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.526 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -174.06 160.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -123.35 138.07 54.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -153.34 150.02 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -93.18 165.7 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.4 mmm -100.95 -69.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.84 3.86 2.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.45 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -123.19 -49.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.468 ' CB ' HG11 ' A' ' 52' ' ' VAL . 2.6 t0 -87.34 -49.99 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.0 t -75.39 117.83 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.426 ' CG2' ' HG3' ' A' ' 87' ' ' ARG . 20.0 pt -99.84 -30.21 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -143.32 168.92 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.65 126.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -110.5 142.33 42.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.6 p -146.19 133.64 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.91 -131.66 10.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.468 ' CD2' ' HG2' ' A' ' 78' ' ' ARG . 73.7 m-70 -85.45 29.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.91 65.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.04 32.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.07 124.6 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.13 18.12 34.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -144.36 139.61 15.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -166.38 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 65' ' ' HIS . 8.0 tpt180 -96.38 -43.41 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.2 -19.2 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.87 14.7 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.5 mt -102.24 137.45 40.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tp -134.49 119.91 19.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -115.57 139.88 49.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.8 mm -117.54 96.03 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.42 103.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.6 m -65.01 -176.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.426 ' HG3' ' CG2' ' A' ' 59' ' ' ILE . 3.7 ttt180 -101.62 -50.74 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' GLY . 9.1 m-20 -79.14 70.57 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 35.71 85.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 91' ' ' THR . 37.9 tttt -174.8 160.3 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.46 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 54.9 m -151.59 142.52 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -115.17 116.2 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.58 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.5 mt -112.34 159.64 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.6 t -143.86 128.9 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.36 157.47 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.73 -42.75 93.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.8 p -148.77 162.38 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.8 m -43.71 -44.1 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -49.86 71.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.54 -49.92 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.5 t -53.75 -48.97 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.77 -45.88 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.96 -56.15 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.41 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 27.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -55.05 -49.28 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -56.36 -41.88 76.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -66.17 -43.07 87.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.88 -51.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -54.14 -20.88 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.93 -45.01 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.5 p -56.77 -35.6 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.511 ' CE2' ' NH1' ' A' ' 45' ' ' ARG . 20.3 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.955 0.407 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.65 -60.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.7 tttp -142.02 144.55 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 p -136.5 131.35 33.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.584 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -160.36 -178.76 34.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.527 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 65.2 m95 -96.54 128.93 43.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 56.0 mt -144.09 148.83 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -90.24 147.71 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -133.77 130.23 37.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.29 127.9 34.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -92.75 173.91 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.2 p -107.98 -21.26 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.3 mt -98.43 -39.72 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.2 mp -89.18 -3.13 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' LEU . 46.9 mmtt 34.48 50.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.48 173.4 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -94.62 129.87 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -124.72 139.66 53.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 55.2 tttt -66.67 130.34 42.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -137.07 164.67 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 45.5 t-105 -108.42 114.77 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 70.1 m-85 -100.95 153.69 19.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -157.21 112.0 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.5 tp -85.33 142.98 28.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -96.61 174.46 6.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -75.36 -30.21 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.22 2.32 44.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.52 -36.31 4.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -43.63 134.89 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 tp -117.73 129.8 55.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mt -136.21 128.44 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -115.59 163.92 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.503 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 22.2 m-85 -131.91 162.01 31.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.23 -46.53 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -133.63 -175.6 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -69.04 -13.43 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -70.13 -16.54 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.511 ' NH1' ' CE2' ' A' ' 8' ' ' PHE . 35.9 mtm180 41.03 36.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -94.78 -22.95 17.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -121.13 87.52 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 mt -51.37 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -54.92 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -171.71 174.4 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -136.83 143.86 43.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.7 t -160.07 129.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.461 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -75.22 167.05 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.635 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 25.7 mmm -103.49 -70.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.2 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.616 2.211 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 39.4 t -122.69 -47.23 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -87.08 -46.07 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.6 t -84.58 139.73 31.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.9 -23.75 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -142.79 158.12 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -134.46 109.03 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 66' ' ' GLU . 14.4 mtp180 -97.6 146.05 25.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 p -146.12 137.3 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.22 -116.91 4.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -87.68 -17.69 31.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . 8.9 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.576 0.703 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 160.54 49.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.46 21.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -39.85 116.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.96 -29.87 6.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -102.74 143.7 27.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -166.57 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -98.77 -38.09 9.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.4 -16.86 39.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 22.7 m -88.9 3.82 50.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.2 mt -85.2 132.7 34.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 tp -131.89 117.78 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -113.81 146.36 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.3 mm -125.1 108.37 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -80.26 116.88 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.8 m -90.14 -176.2 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -84.53 -45.18 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 90' ' ' LYS . 10.5 m-20 -77.11 57.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 36.51 30.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' ASP . 22.1 tptt -100.03 139.22 36.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -133.92 137.45 44.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.47 117.42 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -88.29 115.08 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.446 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 67.2 mt -116.99 162.57 17.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -148.52 133.49 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.89 -179.84 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.0 -29.11 13.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 t -145.78 146.4 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -41.45 -45.34 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.81 -45.95 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -48.82 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.4 t -56.76 -53.65 55.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.1 mt -52.68 -50.99 62.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.65 -55.79 10.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.406 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 18.3 m95 -53.34 -51.81 61.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -54.27 -51.45 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -56.35 -45.02 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.8 m -59.4 -50.44 73.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 7.4 mt -61.22 -58.37 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -44.53 -25.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -85.73 -40.37 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -13.4 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 16.7 mtm105 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.9 t -47.33 -53.42 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -146.99 139.28 24.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.438 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 97.7 p -134.28 142.4 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.04 31.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.494 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 93.8 m95 -76.87 136.98 38.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 39.7 mt -151.17 140.28 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.25 136.88 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -126.72 131.17 51.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.17 123.36 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -103.66 159.25 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -86.73 -27.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 mm -82.54 -27.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.4 mt -103.38 -22.53 13.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm 46.92 39.71 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -157.32 148.57 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -67.96 117.08 9.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -120.52 127.92 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 134.43 27.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -144.24 156.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.478 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 74.4 t-105 -103.77 127.62 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 58.9 m-85 -116.44 149.8 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' OD2' ' CD1' ' A' ' 28' ' ' TRP . 68.5 m-20 -152.54 116.78 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' VAL . 6.6 tp -92.42 134.11 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -89.32 164.99 14.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -67.3 -30.35 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.08 -3.98 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.99 -35.71 4.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -46.76 135.24 9.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 tp -118.81 130.18 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 mt -135.05 129.11 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -116.11 155.26 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.439 ' N ' ' CD1' ' A' ' 40' ' ' TYR . 2.7 m-85 -125.03 168.34 13.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.42 -34.9 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.09 -177.95 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -25.42 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -56.26 -28.4 58.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 58.23 39.79 25.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -94.47 -40.52 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.6 m -111.26 103.68 12.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.5 108.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.64 -63.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -168.11 177.68 5.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -137.12 136.15 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.461 HG12 ' CB ' ' A' ' 57' ' ' ASP . 23.8 t -152.01 142.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -88.59 166.88 13.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.3 mmm -101.13 -70.25 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -121.99 -50.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' CB ' HG12 ' A' ' 52' ' ' VAL . 4.3 t70 -86.33 -43.73 12.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.45 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . 1.5 t -86.11 133.92 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.4 -30.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -143.51 147.08 33.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.5 mt -116.01 115.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -106.58 138.17 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -144.1 161.89 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.36 -101.48 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -103.71 -31.53 9.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 160.13 50.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.287 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 54.2 Cg_endo -69.69 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -97.59 120.03 37.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.08 -7.06 56.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 97' ' ' GLU . 11.0 mmmt -115.59 141.0 26.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.384 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.0 ttm-85 -96.85 -32.68 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.06 -15.24 55.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.4 m -90.23 8.08 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.06 116.7 27.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 tp -112.73 140.91 47.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -139.51 159.99 40.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 58' ' ' CYS . 4.1 mm -140.46 114.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.32 129.03 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.09 -178.66 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -72.69 -63.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.36 -63.72 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.69 33.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -100.75 105.8 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -95.03 131.67 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.0 mt -107.29 123.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 120.17 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 30.0 mt -130.31 157.41 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 t -142.99 149.85 38.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.07 -176.05 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 6.7 tt0 -101.61 -29.4 11.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -143.97 135.85 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.9 m -40.54 -39.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -54.81 -43.62 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.1 -57.14 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.16 -48.52 23.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.9 mt -60.13 -40.47 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.96 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -59.57 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -56.94 -57.43 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.4 m-85 -52.0 -41.09 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.9 m -66.02 -46.71 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.5 mt -61.8 -35.58 78.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -72.24 -34.7 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.1 -29.69 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -74.56 -21.19 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 113' ' ' ARG . 13.9 mtp-105 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.45 -59.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -149.15 140.99 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.6 p -130.24 133.32 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.526 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.82 175.91 41.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.414 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 76.8 m95 -89.11 139.2 30.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 105' ' ' TRP . 51.5 mt -153.83 147.36 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.48 150.0 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -136.44 110.79 8.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.97 105.12 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 m -70.26 -178.57 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -107.57 -24.59 11.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.6 mt -86.74 -48.25 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.03 -14.47 50.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt 40.83 49.74 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -152.69 153.12 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.47 114.23 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.4 135.51 53.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -64.19 133.37 52.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -142.46 165.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 64.2 t-105 -107.9 129.73 55.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 52.8 m-85 -117.64 160.3 21.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 27.7 m-20 -162.18 118.27 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -92.81 143.68 26.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -98.2 151.78 20.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 t -52.32 -31.66 34.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.4 -22.03 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.7 -30.51 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -50.1 136.29 19.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.02 129.78 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.3 mt -134.24 131.56 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -118.93 157.68 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.458 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 46.3 m-85 -124.51 172.04 9.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.06 -30.18 60.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -157.91 -175.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -71.94 -6.83 44.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -75.25 -22.95 57.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 37.3 mtt180 51.9 28.8 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -82.91 -43.23 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -114.72 103.6 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mt -65.35 117.42 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.33 -62.01 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -171.7 166.21 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -130.51 141.57 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.3 t -155.92 148.3 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.471 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -93.67 167.66 11.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.629 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.0 mmm -103.03 -70.35 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.0 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -120.62 -53.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.01 -46.46 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.84 148.2 27.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 pt -120.91 -28.81 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.3 161.25 41.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.9 mt -122.45 120.89 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -112.4 123.46 50.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.7 p -127.41 138.18 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -122.7 9.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -64.83 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.709 0.29 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 164.15 35.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.94 149.88 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.81 38.52 30.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -146.94 136.42 11.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.723 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -173.79 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -105.41 -22.04 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -73.59 -7.74 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -101.16 11.44 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.9 mt -91.48 142.18 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 109' ' ' LEU . 4.1 tp -133.07 123.91 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -124.32 150.79 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mm -127.65 127.69 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.31 132.26 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.5 m -96.47 -175.45 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -90.73 -18.13 25.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -105.51 25.57 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.27 -25.21 4.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -48.61 133.3 16.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -132.1 135.75 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -111.89 127.72 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.32 126.69 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.553 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 55.9 mt -131.67 163.16 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 49.1 t -144.79 146.17 32.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.79 161.57 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -57.54 -36.09 71.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -160.04 168.77 24.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.8 m -46.96 -46.61 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.52 -48.36 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.97 -40.46 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 35.3 t -62.81 -56.54 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.59 -44.76 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.1 -59.24 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.485 ' CE2' HD11 ' A' ' 14' ' ' LEU . 30.6 m95 -53.7 -53.44 52.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -47.52 -59.74 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -50.89 -37.58 44.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.2 m -66.35 -53.09 40.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 11.3 mt -60.19 -48.4 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -55.41 -25.4 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -87.94 -40.1 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 p -61.6 -14.97 34.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -44.65 -57.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -148.08 143.01 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -133.46 140.44 47.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.15 166.39 39.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.495 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 74.4 m95 -78.23 142.94 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 39.2 mt -157.78 141.75 15.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.4 mt -85.22 146.84 26.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -136.49 138.32 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.81 102.61 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -73.73 150.96 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -83.61 -5.11 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.176 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.83 -49.29 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 -8.53 49.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 43.5 40.12 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 3.3 ptm85 -144.16 169.73 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -88.37 119.59 28.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -123.61 133.92 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.21 129.27 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -136.09 164.74 27.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 65.5 t-105 -104.74 123.99 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CZ ' ' CD2' ' A' ' 94' ' ' LEU . 45.3 m-85 -113.0 154.58 26.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.3 m-20 -156.92 119.86 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.76 140.87 29.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -94.93 172.0 8.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.1 p -74.84 -23.5 58.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.97 -0.35 57.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.39 -28.09 17.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -51.95 135.55 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.6 tp -118.31 129.76 55.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.0 mt -134.43 132.81 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -121.02 160.52 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.92 160.94 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.34 -41.52 80.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 -176.1 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -62.24 -19.28 63.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.1 p -65.96 -30.87 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 57.4 45.92 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.38 -23.9 15.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -130.23 102.16 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.38 100.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -46.26 -71.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.415 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 20.3 m-20 -163.66 160.89 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -124.68 141.83 51.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.2 t -158.51 136.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.474 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -79.78 167.35 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.3 mmm -103.85 -70.23 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.4 Cg_endo -69.74 2.48 3.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.474 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 16.7 t -121.38 -48.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.19 -47.12 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 41.8 t -78.6 119.95 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.421 HD11 ' CG ' ' A' ' 88' ' ' ASP . 14.5 pt -101.79 -29.33 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -141.8 170.59 15.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mt -139.3 112.93 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -100.19 117.23 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.6 p -133.36 157.01 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.56 -113.27 3.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.6 m80 -92.78 -17.84 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 140.86 43.47 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 131.27 20.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -42.21 136.13 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.09 -1.66 80.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -124.58 139.45 33.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.53 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 65' ' ' HIS . 3.1 mtp180 -97.92 -41.97 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.58 -20.99 23.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.4 m -81.88 14.94 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.2 mt -100.06 129.28 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 tp -127.88 127.11 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -127.22 151.61 48.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.2 mm -130.97 97.93 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.66 106.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ARG . 28.6 t -91.24 116.46 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' CYS . 18.1 mtp180 34.21 36.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 86' ' ' CYS . 14.3 m-20 46.78 52.96 10.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.48 -51.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -115.82 90.8 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.4 m -79.51 133.12 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -108.09 115.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.65 116.3 28.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.439 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 18.4 mt -123.08 168.43 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.7 t -156.71 126.22 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.46 177.01 7.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -89.07 -48.9 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 101' ' ' ASP . 4.4 m -123.65 145.68 48.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.4 m -39.92 -44.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -41.76 93.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.7 OUTLIER -61.63 -46.27 90.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.09 -53.16 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.1 mt -56.55 -55.13 37.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -40.09 -48.62 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -62.63 -55.05 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -44.32 -59.68 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -44.77 -51.68 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 m -60.05 -40.7 90.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.59 -54.82 29.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.96 -42.47 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' SER . 5.4 t70 -65.81 -58.09 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.5 m -36.91 -37.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 13.1 mtp-105 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.45 -58.62 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -143.44 127.83 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -117.14 128.68 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.476 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -164.96 172.92 40.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 82.3 m95 -92.45 130.82 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 105' ' ' TRP . 60.6 mt -142.78 144.49 32.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD22 ' CA ' ' A' ' 26' ' ' LYS . 81.7 mt -79.1 146.45 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -141.2 127.79 20.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -85.17 117.33 24.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -80.3 177.55 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.5 p -98.44 -29.27 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.7 -45.8 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.31 -23.7 46.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 42.36 48.8 4.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -150.49 151.09 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -75.07 116.71 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -125.8 135.91 52.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.422 ' CA ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.36 130.74 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -135.86 165.11 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.476 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 27.4 t-105 -98.1 117.95 33.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 31.7 m-85 -105.99 151.87 24.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -156.21 112.6 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 tp -88.14 148.64 24.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -101.6 150.17 23.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -51.84 -38.87 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.808 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -69.3 -28.93 66.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.99 -27.47 3.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -53.61 136.11 39.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.4 tp -116.87 130.16 56.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.8 mt -137.45 128.09 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -116.0 157.61 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -122.83 178.88 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.13 -37.99 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -145.5 178.67 7.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.43 -14.41 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -67.27 -24.41 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 28.8 mtt85 56.88 28.79 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -91.99 -27.04 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -120.37 110.71 16.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.502 HD13 ' CD2' ' A' ' 40' ' ' TYR . 39.2 mm -75.55 129.55 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.73 -51.09 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 t70 -174.29 -178.92 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -147.6 137.81 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.2 t -157.79 151.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.469 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -97.77 167.16 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.4 mmm -103.9 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.2 Cg_endo -69.7 2.73 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 15.5 t -121.79 -47.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.63 -47.72 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 43.8 t -76.93 144.99 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 pt -127.77 -29.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -143.05 158.33 43.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.417 HG13 ' NH2' ' A' ' 113' ' ' ARG . 20.4 mt -131.17 111.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -91.14 119.36 31.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.1 p -140.4 134.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.58 -114.74 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -89.74 31.41 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.765 0.316 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.91 61.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.75 23.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -44.45 115.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.65 -38.47 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -87.49 142.99 33.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -167.03 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -104.15 -33.86 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -67.5 -6.46 19.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.66 10.01 42.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt -91.99 127.79 37.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.3 tp -122.4 126.06 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -121.47 147.63 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.3 mm -126.95 92.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -73.78 124.3 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.53 -179.41 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 44.6 mtt180 -68.4 -59.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.98 -67.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.67 -37.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' GLY . 32.2 tttm -35.34 120.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.1 m -114.65 137.83 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.2 mt -107.82 122.15 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -98.74 113.56 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.1 mt -120.76 164.59 16.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -149.98 138.39 20.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.04 154.86 19.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -45.91 -41.14 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 t -159.24 164.86 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.1 m -42.74 -54.71 3.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -43.92 -46.12 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.03 -55.56 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.7 t -49.28 -54.8 15.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.4 mt -48.62 -52.76 21.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.11 -56.89 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.457 ' CD1' HD12 ' A' ' 14' ' ' LEU . 43.4 m95 -58.4 -55.1 39.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -41.12 -59.48 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -46.42 -49.91 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.2 m -58.08 -39.88 79.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.87 -57.79 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -52.95 -26.47 15.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.61 -34.63 17.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 p -71.71 -20.75 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.417 ' NH2' HG13 ' A' ' 61' ' ' ILE . 6.3 ptp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 t -60.11 -58.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' HZ3' ' N ' ' A' ' 105' ' ' TRP . 52.6 tttt -143.92 134.37 24.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.7 p -132.29 139.39 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.62 176.15 45.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.425 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 72.8 m95 -92.09 139.08 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD13 ' CD1' ' A' ' 105' ' ' TRP . 69.1 mt -151.98 149.29 28.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.441 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 17.1 mt -80.31 151.52 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -146.83 120.82 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -81.61 106.32 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 p -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.4 p -93.67 -34.51 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -78.65 -66.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' LYS . 30.6 mt -65.48 -15.91 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' LEU . 25.8 mtmt 37.96 54.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -153.17 158.25 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 71' ' ' GLN . 95.3 m95 -80.75 106.95 13.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -113.88 143.08 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 1.2 tppt? -75.09 127.47 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -131.26 174.9 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.425 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 59.1 t-105 -110.66 113.94 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 69.4 m-85 -105.68 143.92 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.96 125.41 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 tp -93.9 145.91 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -100.5 157.63 16.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -59.63 -35.95 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.91 -9.27 58.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.82 -36.71 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.482 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 14.5 m80 -43.43 135.04 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -116.88 130.03 56.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.4 mt -134.31 136.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -126.43 150.83 48.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 48' ' ' ILE . 48.1 m-85 -118.39 168.87 10.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.49 -44.9 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -140.26 177.4 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -62.74 -8.48 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p -77.53 -18.56 56.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 63.6 mtt180 49.35 41.63 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -99.62 -30.58 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.04 86.73 2.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.536 HG12 ' CE2' ' A' ' 40' ' ' TYR . 97.0 mt -56.14 111.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.77 -61.23 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 27.7 t70 -173.4 158.22 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -123.5 133.25 54.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -153.28 136.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 2.6 t-160 -78.97 167.32 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.636 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.0 mmm -102.87 -70.36 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.46 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 3.4 t -122.36 -50.42 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.58 -52.47 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 37.5 t -69.86 125.18 25.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.39 -23.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.16 152.02 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.442 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 89.8 mt -123.53 113.01 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -97.16 122.27 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.9 p -138.05 145.56 41.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 -106.63 2.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' GLU . 91.4 m-70 -93.07 -35.0 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.737 0.303 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' HIS . 6.7 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 13.6 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.46 65.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.91 55.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -55.83 128.14 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 21.95 38.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -143.68 136.73 13.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.552 0.692 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.27 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -96.07 -37.3 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.3 -12.49 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.3 p -93.99 12.04 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.6 mt -98.17 128.94 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 tp -120.69 125.91 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -127.9 149.74 50.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.8 mm -130.83 100.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 86' ' ' CYS . 42.0 t -73.57 141.02 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.408 ' N ' HG13 ' A' ' 85' ' ' VAL . 3.1 m -106.81 -175.0 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -84.99 -38.59 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.26 24.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 84.9 -36.91 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLY . 62.8 tttm -35.22 148.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.2 m -150.84 137.5 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.0 mt -107.9 122.38 62.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -93.88 117.93 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 7.1 mt -128.56 164.71 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.9 t -153.63 137.21 15.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.73 159.47 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -50.36 -56.0 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.5 p -135.03 163.67 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.5 m -44.17 -54.41 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -46.16 -46.34 17.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.59 -47.69 84.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.83 -56.2 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.3 mt -47.59 -48.15 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.1 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.524 ' N ' ' HZ3' ' A' ' 10' ' ' LYS . 39.0 m95 -53.08 -55.89 20.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -42.18 -58.28 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 22.4 m-85 -45.86 -49.14 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.1 m -62.28 -51.99 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.0 mt -53.01 -48.45 67.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -62.93 -35.77 81.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.24 -35.4 78.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 p -65.85 -12.32 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 12.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -49.5 -62.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.473 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 46.4 tttp -136.08 144.44 45.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.527 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 39.5 p -136.98 141.85 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.472 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -177.24 175.16 47.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -92.73 137.32 32.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.1 mt -147.82 142.36 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.1 126.83 33.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -121.23 115.6 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -71.91 122.88 21.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -98.6 170.0 9.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -87.31 -35.36 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -71.58 -68.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.1 mt -65.6 -8.25 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.2 mtmp? 35.39 54.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -166.21 167.23 16.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -80.27 125.51 29.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -126.29 128.63 47.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -63.89 132.22 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -136.43 175.93 9.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.527 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 57.6 t-105 -115.09 113.32 23.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 35.8 m-85 -100.11 150.14 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.513 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 7.1 m-20 -154.74 112.83 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 tp -85.74 140.58 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.3 161.2 14.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 p -66.77 -24.56 66.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.74 9.97 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 -38.89 3.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -43.07 135.21 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 tp -120.26 129.67 54.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.4 mt -136.11 134.72 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 1.7 p90 -123.91 152.06 42.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 45' ' ' ARG . 21.8 m-85 -117.29 178.96 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 19.4 t0 -81.36 -22.77 38.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 64.6 m-20 -163.61 -174.97 3.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.486 ' NE2' ' H ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -76.64 47.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 p -114.76 -14.72 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 15.7 mtt180 41.15 29.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -119.26 -33.35 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -102.83 76.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.403 HG12 ' CE2' ' A' ' 40' ' ' TYR . 82.2 mt -55.81 116.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -73.3 -48.37 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 26.8 t0 -169.45 172.07 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -140.99 134.01 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -152.58 137.11 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.456 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -82.56 166.46 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.625 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.5 mmm -101.12 -70.05 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.625 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.73 3.36 2.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -122.38 -50.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.468 ' CB ' HG12 ' A' ' 52' ' ' VAL . 1.3 t70 -84.1 -61.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.38 133.89 48.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.0 pt -109.98 -27.87 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -139.91 161.61 37.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -135.31 126.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -125.55 148.91 48.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 p -138.76 152.47 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.34 -139.3 41.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -51.44 -36.01 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.19 66.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -164.62 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.44 149.54 30.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.81 15.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 97' ' ' GLU . 14.6 mmtt -146.41 131.94 9.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 173.62 10.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.318 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -102.23 11.78 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.53 -13.04 16.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.58 5.4 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -74.93 141.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tp -133.99 133.92 41.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -131.82 153.22 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.67 127.71 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.3 t -95.63 120.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.3 m -88.45 -175.72 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -89.99 -9.14 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -106.38 44.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 47.33 20.62 0.95 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -89.65 156.67 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.6 m -140.46 128.73 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 118.51 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 m -88.27 122.76 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.537 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 15.9 mt -128.38 164.35 22.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 t -144.55 137.44 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 97' ' ' GLU . . . -104.89 141.23 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.42 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 5.8 tt0 -37.7 -48.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -146.61 165.41 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -45.54 -54.24 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -49.2 -44.82 43.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.75 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.9 t -61.73 -53.29 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.9 mt -51.83 -49.09 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.53 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.473 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 21.6 m95 -64.72 -46.62 81.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -57.32 -48.15 79.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 23.5 m-85 -58.04 -51.83 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m -62.02 -36.5 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 mt -72.84 -30.35 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -78.63 -37.12 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.92 -20.63 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -81.06 -21.54 39.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.8 t -46.14 -58.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 49.6 tttp -143.17 144.36 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.486 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 82.8 p -133.77 141.37 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.411 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -174.25 158.17 26.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.481 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 88.3 m95 -77.29 135.59 38.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 31.0 mt -148.0 139.75 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -84.29 124.36 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 35.6 ttp85 -112.92 132.03 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -83.8 96.37 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -64.68 174.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 p -97.25 -25.93 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mt -88.91 -58.58 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.13 -14.96 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 39.68 52.77 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -166.01 164.72 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -76.96 113.68 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -116.47 133.39 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 2.6 ttpm? -63.64 130.57 44.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -137.56 175.11 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 37.3 t-105 -117.83 112.52 20.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 63.5 m-85 -98.69 148.93 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.486 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 72.3 m-20 -155.35 114.15 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 tp -86.83 147.02 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -100.35 171.53 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 t -71.39 -29.74 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.02 8.15 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.43 -34.47 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -46.42 134.27 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -117.06 129.53 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.0 mt -135.19 132.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 1.2 p90 -119.9 159.97 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 45' ' ' ARG . 26.2 m-85 -125.35 175.31 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 16.0 t0 -74.01 -28.15 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 19.6 m-20 -161.82 -175.51 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.574 ' NE2' ' H ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -75.76 48.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.0 p -118.55 -27.14 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.531 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 60.6 mtt180 55.76 36.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -120.37 -29.91 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.8 t -104.72 68.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.0 mt -46.06 92.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' SER . 32.0 mm-40 -51.53 -59.26 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -167.11 176.47 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -141.69 130.12 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.0 t -142.7 138.23 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.463 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.96 166.99 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.2 mmm -102.19 -69.99 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.679 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.8 1.71 4.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.463 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.9 t -121.05 -48.21 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -88.33 -44.86 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.0 t -85.96 138.72 31.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -119.89 -29.54 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -138.07 149.16 45.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -122.88 134.55 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -132.06 149.32 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.412 ' CG2' HD11 ' A' ' 82' ' ' LEU . 1.3 p -138.68 132.82 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.86 -133.74 31.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -50.73 -47.91 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 154.67 67.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.0 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.48 140.08 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 61.2 41.05 99.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 8.6 mmmm -153.75 137.68 10.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.65 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -103.91 -34.55 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.28 -12.46 41.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.5 p -93.44 10.29 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.0 138.75 31.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.412 HD11 ' CG2' ' A' ' 63' ' ' THR . 6.9 tp -130.45 127.9 40.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -122.79 153.3 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 mm -133.66 114.18 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.99 110.08 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 98.1 m -83.26 -177.4 6.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -79.71 -39.57 30.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' LYS . 7.0 t0 -88.89 53.26 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.46 26.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 88' ' ' ASP . 75.9 tttt -92.61 95.15 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.2 m -87.21 126.79 35.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.43 118.92 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m -88.47 119.34 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.4 ' CD2' ' HG3' ' A' ' 16' ' ' ARG . 41.8 mt -123.34 155.59 36.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 t -138.95 134.8 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.45 154.15 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.69 -50.7 72.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 t -137.59 151.0 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.6 m -38.76 -37.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -55.9 -51.02 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -57.45 -52.73 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.2 -53.67 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -55.1 -50.52 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.67 70.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.413 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 19.4 m95 -66.27 -49.51 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -53.61 -54.56 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -54.48 -46.06 73.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.7 m -61.24 -47.57 85.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.8 -43.56 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -75.23 -53.23 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.6 p -40.96 -31.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.32 -58.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.484 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.2 tttp -147.99 143.59 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 p -135.24 131.55 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -163.41 169.69 38.56 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.49 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 78.0 m95 -81.62 135.98 35.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 32.7 mt -151.43 139.08 19.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.6 mt -81.2 154.58 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -142.72 126.4 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -86.23 106.56 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -84.1 165.68 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.3 p -82.98 -26.19 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.34 -58.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mp -67.22 -21.15 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 39.56 48.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -164.59 152.46 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -68.74 116.63 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -121.56 128.54 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.94 127.77 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -136.96 156.8 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.496 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 38.8 t-105 -103.13 130.06 50.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 50.2 m-85 -117.16 149.98 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -153.52 113.42 3.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -89.41 146.24 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -99.6 147.57 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -50.66 -33.93 24.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -70.71 -33.19 70.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.51 -23.05 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -57.67 139.05 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -116.87 129.72 56.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -137.64 128.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 1.0 OUTLIER -121.45 150.92 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -116.76 176.21 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.68 -37.71 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.82 -177.58 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.04 -28.7 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -42.72 -41.53 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 56.22 30.26 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -113.14 -30.25 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -102.63 79.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.28 120.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -78.01 -64.14 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 10.3 m-20 -160.81 153.61 21.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -123.18 140.41 53.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.5 t -157.68 148.41 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.468 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.41 167.16 12.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.4 mmm -103.79 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.77 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.0 t -121.47 -50.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.39 -53.47 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.09 122.49 18.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 pt -102.18 -29.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -142.77 159.07 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.8 mt -125.85 112.32 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -105.98 128.78 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.5 p -136.63 136.9 39.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.51 -137.58 19.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.437 ' H ' ' CD2' ' A' ' 65' ' ' HIS . 13.2 m-70 -55.04 -26.42 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.59 68.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.48 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.55 109.05 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.84 8.69 20.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -130.56 140.92 40.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.81 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -94.36 -32.13 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.5 -9.82 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -93.58 12.08 26.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.88 123.66 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -119.76 135.96 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -133.6 146.89 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.1 mm -126.41 103.58 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -77.85 120.64 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.31 171.74 12.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.62 -61.59 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.15 -63.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 175.16 -30.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' GLY . 35.4 tttp -36.04 101.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -98.88 134.95 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt -110.01 120.11 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.41 120.61 33.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.5 mt -128.51 158.59 37.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 t -144.45 117.89 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.73 170.06 15.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -76.92 -34.12 57.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' ASP . 2.3 t -149.75 146.18 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 98' ' ' SER . 28.3 m -36.66 -48.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.95 -44.57 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' SER . 3.3 m-20 -65.12 -36.67 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.87 -39.26 83.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.427 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 35.8 mt -70.27 -42.24 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.53 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.484 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 28.2 m95 -65.47 -47.42 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -52.95 -58.07 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 15.2 m-30 -49.89 -48.04 51.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.3 m -58.46 -41.54 85.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.65 -43.55 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.54 -14.44 51.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.93 -42.71 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 p -56.47 -20.29 19.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 4.4 mtm105 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.94 0.4 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.96 -60.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -144.23 151.39 39.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 92.0 p -135.8 145.0 46.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.35 32.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.566 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 66.0 m95 -82.83 137.84 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.536 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 34.6 mt -151.58 143.62 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -90.86 139.33 30.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -124.37 133.2 53.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.6 110.03 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -82.18 157.11 24.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -81.71 -55.43 4.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.08 -57.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.3 -38.59 91.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 61.07 46.42 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -157.15 158.18 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -77.16 112.04 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -113.68 130.16 56.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 16.7 tttp -59.52 138.33 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -148.17 156.01 42.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 43.3 t-105 -95.69 113.65 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 49.5 m-85 -101.59 151.91 21.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -159.48 126.8 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 tp -95.13 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.493 ' CE2' HD13 ' A' ' 38' ' ' ILE . 10.9 m95 -100.54 163.96 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.7 p -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.81 16.21 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.55 -39.68 3.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -38.71 134.04 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.6 tp -119.82 129.68 54.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.493 HD13 ' CE2' ' A' ' 32' ' ' TRP . 64.7 mt -134.51 126.08 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 142.35 46.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.1 m-85 -110.76 155.14 22.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.477 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 3.1 t0 -46.91 -39.7 12.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -175.07 177.02 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 1.0 OUTLIER -37.79 -27.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' ASP . 52.6 p -40.14 -30.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 43.75 30.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -123.26 -30.98 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 94.63 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.463 ' CD1' ' CE2' ' A' ' 40' ' ' TYR . 38.2 mm -64.54 120.45 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 11.3 mm-40 -75.15 -56.77 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -175.07 165.67 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CE ' HD12 ' A' ' 38' ' ' ILE . 25.8 ttmt -129.76 139.86 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -152.85 139.75 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.93 166.95 15.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.641 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.8 mmm -104.95 -70.49 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.79 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 69.0 t -123.15 -47.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.24 -41.4 10.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.416 ' SG ' ' CG2' ' A' ' 84' ' ' ILE . 51.9 t -86.53 130.59 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -116.16 -24.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -146.14 153.32 40.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -126.78 113.05 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.463 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 69.6 mtt180 -100.1 118.11 35.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.0 p -140.95 137.31 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.12 -104.02 2.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -96.13 36.84 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 20.2 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 148.19 64.79 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 74' ' ' ASP . 53.9 Cg_endo -69.75 131.27 20.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 27.7 t70 -36.35 112.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.06 -39.87 2.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -87.22 142.41 33.52 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -167.07 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -100.19 -38.68 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.46 -17.34 53.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -88.43 11.87 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.3 mt -91.64 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 tp -125.95 132.17 52.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -135.75 137.21 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.416 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 20.5 mm -116.73 101.31 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.12 108.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.45 155.41 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 40.9 mtt180 -51.07 178.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.5 t70 54.63 45.58 26.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 48.11 34.8 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -98.8 158.42 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.0 m -158.16 138.91 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.73 130.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -95.96 123.38 39.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.467 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 19.2 mt -136.47 156.26 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 8.9 t -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 152.79 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -48.56 -48.05 38.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 t -148.53 164.66 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -40.31 -50.69 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -51.76 -54.63 26.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -44.95 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 39.9 t -59.25 -62.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 17.0 mt -44.75 -56.06 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.66 -59.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -58.72 -44.92 90.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -53.08 -52.47 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 26.6 m-85 -52.21 -52.39 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -58.66 -48.26 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.9 mt -58.51 -44.89 89.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -60.44 -18.72 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -94.31 -53.92 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.9 p -48.35 -38.35 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -55.77 -58.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -142.34 136.86 30.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.445 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 73.3 p -129.2 128.79 44.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.61 175.23 37.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.445 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 72.1 m95 -92.46 131.2 37.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 HD12 ' CE2' ' A' ' 105' ' ' TRP . 24.8 mt -148.42 147.75 29.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mt -83.4 155.74 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -145.78 126.77 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.79 108.06 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.17 173.23 11.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 p -109.61 0.99 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -112.48 -39.21 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -99.98 -7.35 25.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 39.46 48.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.4 148.64 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -68.55 111.73 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -114.51 129.2 56.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 5.9 ttpp -60.54 129.87 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.445 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 64.1 t-105 -112.21 111.65 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.538 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 65.0 m-85 -99.02 155.61 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -156.78 112.66 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -88.71 139.83 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.423 ' CZ2' HD11 ' A' ' 38' ' ' ILE . 11.5 m95 -93.5 175.03 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -76.77 -29.13 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.03 -2.89 56.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.59 -24.55 28.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.435 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -56.08 135.1 53.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.7 tp -118.01 130.34 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.423 HD11 ' CZ2' ' A' ' 32' ' ' TRP . 21.0 mt -133.03 127.32 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -114.48 155.75 25.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 32.6 m-85 -123.64 172.1 9.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.42 -46.5 48.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -139.62 179.8 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -59.85 -28.73 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 p -56.77 -21.07 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.429 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 55.1 mtm180 47.22 43.14 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.37 -23.07 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.25 93.35 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.2 mt -60.01 108.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.99 -60.49 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.538 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -171.67 164.32 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -126.84 135.35 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.4 t -151.04 140.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.478 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.7 167.65 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.632 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -104.3 -70.62 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.478 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 24.4 t -122.05 -45.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.0 OUTLIER -94.3 -42.3 8.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 84' ' ' ILE . 27.6 t -85.65 133.3 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.06 -25.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -147.73 157.66 43.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mt -129.67 110.81 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -95.41 127.21 41.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.2 p -140.73 150.04 42.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.29 -114.86 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -80.47 -24.43 39.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.6 65.5 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.353 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.06 141.58 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.8 47.94 51.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -150.02 122.83 4.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.99 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -97.97 -26.34 14.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -19.05 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 28.0 p -96.03 15.69 19.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.73 132.51 44.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.1 tp -131.01 137.93 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG2' ' CG2' ' A' ' 91' ' ' THR . 7.9 tt0 -134.9 163.82 28.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 6.6 mm -141.32 111.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.0 124.5 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 30.1 m -89.23 174.57 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.0 -64.36 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -61.86 -48.43 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 161.85 -30.57 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' GLY . 65.8 tttt -34.34 103.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.413 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 88.2 m -101.59 134.83 44.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.5 mt -107.35 123.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 m -94.48 122.95 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.538 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 56.9 mt -131.29 163.37 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 t -146.57 138.55 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.79 165.62 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -69.09 -44.21 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' ASP . 64.6 m -147.24 153.81 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 98' ' ' SER . 5.2 m -36.86 -39.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.27 -48.47 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' SER . 3.6 t70 -60.62 -42.21 96.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.6 t -63.87 -48.99 74.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 11.3 mt -58.28 -46.49 85.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.89 -53.52 51.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.465 ' CE2' HD12 ' A' ' 14' ' ' LEU . 32.2 m95 -60.77 -57.16 13.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -43.75 -47.4 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.0 m-85 -63.2 -49.09 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 m -58.27 -36.43 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.44 -43.01 61.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.44 -22.17 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -86.11 -41.48 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.4 p -58.94 -13.44 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.495 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 13.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -52.26 -61.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -135.16 148.46 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.0 p -144.4 133.89 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.25 162.98 36.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.42 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 50.2 m95 -78.42 130.49 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 105' ' ' TRP . 39.6 mt -150.21 149.43 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.402 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 5.8 mt -89.27 154.92 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttp85 -141.72 129.63 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -91.55 106.76 18.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 177.6 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -98.83 -14.67 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.67 -37.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' CD1' ' N ' ' A' ' 21' ' ' LEU . 5.7 mp -86.46 -14.58 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt 38.62 48.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -165.24 165.3 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CZ3' ' O ' ' A' ' 93' ' ' SER . 94.6 m95 -81.37 119.67 23.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -121.46 134.93 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -69.2 135.54 50.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -144.89 171.6 14.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CD1' ' OD2' ' A' ' 30' ' ' ASP . 69.5 t-105 -110.05 120.89 43.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CZ ' ' CD2' ' A' ' 94' ' ' LEU . 34.8 m-85 -106.46 150.01 26.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 57.2 m-20 -152.63 115.31 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -86.59 144.25 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -97.82 166.81 11.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -70.1 -28.18 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.09 2.18 44.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 -21.83 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -56.44 134.22 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -117.19 129.72 56.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.08 127.81 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -115.41 151.39 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 48' ' ' ILE . 41.9 m-85 -112.98 173.91 6.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 25.4 t70 -66.15 -38.68 88.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 57.1 m-20 -165.08 -178.74 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -41.42 -28.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.5 p -42.87 -35.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 48.18 27.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -116.39 -32.49 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -99.77 77.14 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.476 HG12 ' CE2' ' A' ' 40' ' ' TYR . 66.2 mt -49.21 124.83 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.07 -60.48 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -155.39 178.83 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -144.74 133.8 22.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 t -152.73 140.56 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.461 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.93 166.77 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.1 mmm -102.67 -69.85 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.3 Cg_endo -69.81 3.7 2.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -121.52 -52.87 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.48 -54.86 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.6 t -67.55 112.16 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.0 pt -90.62 -31.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -145.59 157.31 43.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.441 ' CD1' ' HE3' ' A' ' 54' ' ' MET . 59.2 mt -127.76 116.07 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -111.81 140.64 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.1 p -129.91 145.25 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.48 -129.42 49.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -57.16 -42.87 81.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.52 63.21 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.49 21.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.25 111.02 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.44 2.8 22.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -138.93 136.07 18.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.67 -19.78 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -28.88 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -88.1 21.38 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 mt -94.22 137.38 33.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 109' ' ' LEU . 4.3 tp -136.99 121.83 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -120.95 144.08 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mm -119.26 101.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.8 t -73.12 111.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 88' ' ' ASP . 1.8 m -72.83 -174.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ASP . 59.8 mtp85 -62.61 74.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' CYS . 0.4 OUTLIER 33.36 53.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.15 -37.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -137.05 173.58 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.2 m -160.09 132.58 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.8 mt -108.89 131.23 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 24' ' ' TRP . 7.9 m -105.23 99.01 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.481 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.5 mt -101.56 154.93 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -138.37 115.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.0 163.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.28 -42.79 87.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -147.28 166.79 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -52.15 -34.63 45.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -46.06 91.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -63.47 -52.35 61.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.5 t -49.95 -53.51 25.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 14.8 mt -53.12 -45.25 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.45 -52.95 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.443 ' CD1' HD13 ' A' ' 14' ' ' LEU . 30.9 m95 -60.0 -47.38 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -57.17 -47.41 81.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.0 m-85 -59.28 -42.14 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.7 m -64.95 -51.84 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CD1' HD23 ' A' ' 82' ' ' LEU . 20.1 mt -57.83 -44.61 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.445 ' NE2' ' HD3' ' A' ' 113' ' ' ARG . 12.9 mm-40 -68.68 -19.6 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.32 -25.09 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 p -84.18 -27.28 28.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.445 ' HD3' ' NE2' ' A' ' 110' ' ' GLN . 1.2 ptm85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.7 -61.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 35.5 tttp -141.32 143.14 33.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -132.08 134.53 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.803 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.426 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.68 169.86 40.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 52.9 m95 -87.78 131.32 34.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 105' ' ' TRP . 32.2 mt -146.21 141.45 27.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mt -82.56 153.55 25.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' NH1' ' OD1' ' A' ' 27' ' ' ASN . 10.5 ttp-105 -141.35 125.21 17.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -83.04 100.2 10.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -67.28 164.68 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 p -85.31 -42.53 14.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.42 -47.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 mt -77.28 -29.26 53.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 52.15 41.41 30.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -147.43 155.29 41.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -76.72 108.13 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -111.27 138.9 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 23.9 tttt -67.51 134.07 50.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' NH1' ' A' ' 16' ' ' ARG . 33.8 m120 -141.92 160.96 39.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.426 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 55.0 t-105 -106.38 113.3 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 74.5 m-85 -100.93 160.33 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 7.7 m-20 -162.84 116.01 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -86.95 143.74 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -97.12 163.96 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.0 p -66.15 -32.08 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.07 -15.38 59.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.44 -35.37 4.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -46.84 136.87 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.4 tp -116.81 130.07 56.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 39' ' ' TYR . 28.2 mt -133.91 147.11 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -136.29 156.81 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 80.5 m-85 -119.82 163.78 16.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.81 -30.53 69.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -155.01 -179.4 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -63.17 -23.26 67.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p -64.08 -20.86 66.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.485 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 85.7 mtt180 47.43 34.12 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.96 -23.08 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -129.83 105.91 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.23 105.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.25 -58.24 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 16.9 t70 -170.72 168.82 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -135.59 132.83 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.61 150.6 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.471 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -94.43 167.43 11.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 25.4 mmm -103.61 -70.19 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.556 0.694 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.3 Cg_endo -69.71 2.51 3.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 8.9 t -121.05 -49.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.71 -55.54 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.419 ' SG ' ' CG2' ' A' ' 84' ' ' ILE . 36.6 t -66.65 117.47 8.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.42 HG12 ' C ' ' A' ' 86' ' ' CYS . 12.4 pt -101.93 -27.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -138.73 159.25 42.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.9 mt -133.89 115.19 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.428 ' NE ' ' OE1' ' A' ' 83' ' ' GLN . 17.5 mtm180 -103.22 118.64 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.9 p -145.02 131.29 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.87 95.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 47.39 26.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.894 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.602 0.715 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 145.95 59.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.372 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -178.71 2.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.45 126.18 31.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 10.46 61.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -135.46 132.07 19.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -102.12 -9.69 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -25.39 40.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.8 p -84.83 11.43 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.47 130.68 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.1 tp -128.77 118.15 22.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.428 ' OE1' ' NE ' ' A' ' 62' ' ' ARG . 16.2 tt0 -120.95 153.94 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.419 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 13.5 mm -137.33 108.93 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.9 t -93.83 131.89 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.42 ' C ' HG12 ' A' ' 59' ' ' ILE . 1.3 p -89.9 -177.47 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -59.03 -70.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -43.97 -67.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 178.82 -26.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' GLY . 15.1 tttp -33.8 142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.408 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 37.6 m -139.46 131.86 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.2 mt -107.51 117.08 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.36 113.59 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.56 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -120.99 158.04 28.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.2 t -143.43 132.57 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.61 159.43 14.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.89 -41.0 90.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' THR . 8.3 t -152.26 157.42 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' SER . 3.7 m -36.73 -46.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.35 -50.5 62.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.14 -42.74 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.544 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 17.9 mt -60.81 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -43.77 -54.81 4.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.455 ' CD1' HD13 ' A' ' 14' ' ' LEU . 29.8 m95 -59.45 -51.62 69.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -49.81 -60.19 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.544 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 29.8 m-85 -48.76 -48.81 40.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -55.75 -45.9 77.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.2 -59.27 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.47 ' OE1' ' CZ ' ' A' ' 113' ' ' ARG . 23.2 mm-40 -49.41 -30.88 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -79.77 -43.6 22.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -56.59 -31.52 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CZ ' ' OE1' ' A' ' 110' ' ' GLN . 71.8 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.57 -58.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -139.59 132.13 28.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.436 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 88.0 p -126.67 132.45 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.79 165.71 38.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.411 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 88.2 m95 -82.54 139.54 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 16.6 mt -154.14 149.95 27.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 5.3 mt -90.87 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -126.87 134.47 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -92.01 102.32 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -80.3 174.49 11.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -90.84 -45.82 8.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 mm -64.48 -57.74 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.19 -38.46 75.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp 59.56 41.05 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -148.51 164.37 34.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -80.13 102.65 9.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -104.58 134.76 47.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 5.5 tptp -68.19 132.62 47.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -140.97 173.69 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.436 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 56.0 t-105 -114.87 112.81 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 80.2 m-85 -98.26 150.48 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -154.08 112.26 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.12 144.11 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -97.87 167.07 11.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -71.18 -28.19 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -83.92 -2.42 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 -28.06 16.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -53.94 135.76 42.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.3 tp -118.24 129.77 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.4 mt -136.08 126.27 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -113.2 162.02 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -128.04 179.85 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 -40.12 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -155.47 -177.81 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -52.78 -32.43 43.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -46.08 -37.48 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 58.85 34.82 23.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -100.88 -28.19 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -110.89 103.06 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.42 97.64 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -48.49 -59.53 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -168.45 -178.46 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -142.45 136.57 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.404 HG11 ' CB ' ' A' ' 57' ' ' ASP . 23.0 t -152.71 138.41 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.466 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -84.25 167.2 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.638 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.4 mmm -102.34 -70.33 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.78 2.45 3.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 8.0 t -121.91 -47.89 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' CB ' HG11 ' A' ' 52' ' ' VAL . 2.3 t70 -88.45 -50.22 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.76 117.38 18.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 pt -93.52 -25.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -151.76 165.49 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.0 mt -133.61 130.84 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' HD2' ' CG2' ' A' ' 85' ' ' VAL . 11.4 mtp180 -122.71 150.88 42.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.6 p -145.01 147.57 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.16 -124.66 17.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.401 ' CE1' ' HG2' ' A' ' 78' ' ' ARG . 99.0 m-70 -80.0 -25.05 40.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HD3' ' NH1' ' A' ' 78' ' ' ARG . 54.1 Cg_endo -69.78 155.32 66.15 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.631 2.221 . . . . 0.0 112.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -40.05 128.08 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.1 -30.72 9.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -98.06 143.74 26.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -166.14 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' NH1' ' HD3' ' A' ' 72' ' ' PRO . 13.6 tpp180 -99.68 -42.81 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.62 -12.84 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.17 9.97 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.55 142.93 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 tp -137.59 134.66 35.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -133.59 135.81 44.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.1 mm -112.4 107.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.406 ' CG2' ' HD2' ' A' ' 62' ' ' ARG . 61.6 t -75.46 114.63 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.64 153.72 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -58.18 179.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.05 34.58 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 53.07 34.38 46.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -108.86 145.59 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.429 ' N ' ' HD2' ' A' ' 90' ' ' LYS . 89.1 m -141.41 154.41 45.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.92 117.67 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -83.94 123.26 29.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.563 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 42.7 mt -131.55 156.06 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 47.1 t -141.39 132.02 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.22 153.54 17.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -52.3 -53.98 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.0 p -140.13 162.93 34.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -43.71 -46.03 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -54.32 -46.1 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.28 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.02 -49.36 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.15 -45.26 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -57.0 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -55.0 -46.68 75.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -56.81 -51.36 69.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -55.53 -43.8 76.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.9 m -66.68 -44.3 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.9 mt -61.3 -49.13 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -48.51 -49.48 35.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 113' ' ' ARG . 4.0 t70 -61.25 -57.69 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.6 m -35.28 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 111' ' ' ASP . 75.0 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -49.14 -61.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -141.12 139.43 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . 84.8 p -133.84 129.82 37.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.96 175.87 35.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.409 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 32.9 m95 -91.94 127.95 37.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 105' ' ' TRP . 32.2 mt -144.78 152.19 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.77 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -137.92 116.8 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -84.39 113.7 21.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -96.52 156.9 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -82.22 -20.82 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.57 -44.52 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -85.81 -16.97 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 40.01 52.14 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -164.33 159.63 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 96.6 m95 -85.1 111.49 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -113.91 132.65 55.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 133.33 56.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -139.93 155.63 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.415 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 70.1 t-105 -105.17 112.47 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CZ ' ' CD2' ' A' ' 94' ' ' LEU . 87.5 m-85 -101.52 156.03 17.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.5 m-20 -157.74 115.61 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 tp -86.27 141.24 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -95.99 168.45 10.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -73.37 -24.44 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.38 -2.78 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.05 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 7.8 m80 -48.67 134.74 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -118.4 129.7 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -131.99 134.44 59.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -123.84 150.67 44.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -114.7 170.6 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.2 -37.18 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -147.15 172.01 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -18.11 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -67.95 -20.17 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 52.55 30.7 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -90.21 -35.09 15.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -108.69 96.58 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.59 102.11 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.84 -60.66 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 21.3 t70 -171.8 176.7 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -141.07 133.05 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.3 t -150.33 140.72 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -84.16 167.23 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.1 mmm -102.85 -70.16 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.71 2.69 3.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.1 t -121.85 -48.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.9 -49.96 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 84' ' ' ILE . 53.7 t -73.02 117.52 14.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.0 pt -99.13 -29.71 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -138.7 165.73 26.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.4 mt -136.35 109.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -102.2 143.94 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.7 p -140.76 131.35 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -125.37 12.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.589 ' CE1' ' NE ' ' A' ' 78' ' ' ARG . 33.3 m-70 -60.23 -48.84 80.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 156.31 63.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -166.1 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.59 138.94 31.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.89 33.96 87.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -147.46 134.87 10.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 65' ' ' HIS . 15.5 ttp180 -104.26 -28.0 11.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.0 -16.32 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.04 10.52 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.7 mt -86.47 141.7 28.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 tp -139.19 117.81 12.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.411 ' HG2' ' CG2' ' A' ' 91' ' ' THR . 16.0 tt0 -118.03 147.19 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.4 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 13.1 mm -126.78 119.12 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 t -98.34 133.5 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.614 ' HG ' ' N ' ' A' ' 90' ' ' LYS . 1.3 p -92.8 -179.53 5.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -57.09 -73.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -45.19 -70.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.38 -28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.614 ' N ' ' HG ' ' A' ' 86' ' ' CYS . 32.4 tttt -33.78 128.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.411 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 89.9 m -124.97 130.53 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.7 mt -104.57 125.86 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 m -97.99 113.29 25.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.603 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -118.71 157.4 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 36.7 t -139.23 133.21 31.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.74 161.8 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.22 -38.17 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' ASP . 49.4 m -156.21 154.59 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.0 m -38.68 -45.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -54.27 -44.04 71.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.1 t70 -63.97 -53.76 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 53.1 t -51.18 -54.35 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.8 mt -48.5 -43.1 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -52.54 64.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.413 ' CD1' HD11 ' A' ' 14' ' ' LEU . 29.8 m95 -59.19 -46.88 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -55.53 -61.85 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 26.4 m-85 -45.97 -40.35 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -64.65 -49.76 69.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.98 -44.06 97.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.68 -22.15 56.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -94.99 -38.36 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.8 p -63.47 -19.51 64.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.936 0.398 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -53.4 -60.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -139.79 144.87 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.427 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 13.0 p -138.2 131.23 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -162.33 166.8 36.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.556 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 79.1 m95 -83.66 126.33 32.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD22 ' CD1' ' A' ' 105' ' ' TRP . 19.0 mt -139.07 144.83 38.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mt -93.67 122.28 35.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 19.6 ttp-105 -110.77 125.67 53.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -69.99 112.7 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -88.54 132.97 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.3 t -72.75 -19.95 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.66 -41.24 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt -93.88 -7.08 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp 39.18 53.16 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -170.4 148.28 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 83.3 m95 -66.86 121.9 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -122.43 131.19 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.556 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 10.1 ttpt -58.88 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' CB ' HH12 ' A' ' 16' ' ' ARG . 30.8 m120 -141.84 171.59 13.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.427 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 45.1 t-105 -116.66 114.12 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 41.2 m-85 -99.38 148.77 23.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -151.01 115.3 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -89.01 145.45 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -99.43 168.23 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -70.26 -32.78 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.67 1.94 31.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 -31.59 8.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -46.98 134.49 10.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mt -136.82 127.34 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 1.5 p90 -116.37 147.94 41.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.496 ' CG ' ' HA ' ' A' ' 45' ' ' ARG . 72.2 m-85 -110.56 174.85 5.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 12.1 t70 -73.27 -31.77 64.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-20 -163.0 -174.98 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -55.84 -13.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -57.39 -23.64 50.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.496 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 50.2 mtt180 39.19 36.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -122.11 -32.1 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -95.97 79.2 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -49.71 101.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 18.1 mm-40 -62.33 -49.03 77.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 5.2 t70 -172.86 176.28 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -144.95 140.28 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.454 HG12 ' CB ' ' A' ' 57' ' ' ASP . 18.5 t -158.56 135.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -80.64 166.83 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.0 mmm -101.68 -70.26 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.74 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 4.1 t -122.3 -48.5 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.454 ' CB ' HG12 ' A' ' 52' ' ' VAL . 3.4 t0 -87.52 -50.15 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.9 149.61 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 pt -125.72 -33.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -142.12 147.47 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' CD1' ' HE1' ' A' ' 54' ' ' MET . 62.0 mt -118.56 126.95 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.493 ' NH1' ' CG2' ' A' ' 85' ' ' VAL . 7.8 mtt85 -115.32 153.19 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.6 p -145.38 133.73 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.51 -134.58 26.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -55.87 -41.41 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.637 0.732 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 148.89 65.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.7 153.22 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.78 23.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -141.24 129.0 12.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -173.01 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.353 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -109.79 19.67 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -113.25 -15.01 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.89 7.64 45.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.59 145.9 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 tp -139.42 125.65 20.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.433 ' CD ' ' CG2' ' A' ' 91' ' ' THR . 10.8 tt0 -123.49 151.37 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 mm -125.84 108.51 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.493 ' CG2' ' NH1' ' A' ' 62' ' ' ARG . 58.1 t -78.68 112.93 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.5 164.68 21.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -53.72 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.05 31.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -91.31 102.71 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.433 ' CG2' ' CD ' ' A' ' 83' ' ' GLN . 25.4 m -94.14 119.24 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.5 mt -105.69 116.85 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.1 m -85.71 120.98 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.405 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 40.9 mt -123.73 157.89 32.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 4.9 t -137.26 138.98 40.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' GLU . . . -106.62 145.62 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -38.35 -53.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -142.49 179.48 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -55.17 -50.84 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.93 -46.83 61.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.86 -53.29 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 47.4 t -53.74 -58.24 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.1 mt -47.61 -43.96 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.81 -49.81 75.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.479 ' CD1' HD22 ' A' ' 14' ' ' LEU . 18.3 m95 -60.56 -52.45 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -51.1 -57.81 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -52.02 -45.6 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.7 m -57.56 -55.48 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.45 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 20.4 mt -54.62 -49.54 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -50.92 -32.29 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -81.37 -49.47 10.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.0 p -49.46 -28.68 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 15.3 mtp-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.1 t -47.66 -60.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -141.02 146.78 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.1 p -139.11 132.0 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.806 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.42 171.14 39.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.464 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 60.0 m95 -87.28 127.35 35.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 23.1 mt -143.91 148.02 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -91.03 146.39 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -134.66 136.03 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -87.42 111.43 21.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.3 t -86.1 153.77 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -76.96 -32.76 57.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -78.88 -58.92 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.24 -26.37 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mttp 49.89 49.89 19.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -164.39 154.74 14.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -73.92 116.42 14.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -123.12 125.05 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -42.9 134.3 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.79 155.68 44.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -104.82 111.85 24.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 77.3 m-85 -99.18 152.03 20.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -153.95 112.19 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -84.84 140.17 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -94.15 169.66 10.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -71.91 -29.79 64.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -5.36 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.23 -30.47 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -52.1 136.39 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.1 tp -117.85 130.49 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.8 mt -135.53 129.82 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.7 152.81 33.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.98 176.14 5.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -77.36 -41.1 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 p30 -144.9 -177.21 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -65.97 -14.92 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -71.55 -15.99 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 46.06 41.48 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -102.31 -19.18 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -125.52 98.54 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -67.6 103.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -51.69 -56.79 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 14.6 t70 -173.17 174.71 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.61 135.49 40.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.43 143.36 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.473 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.29 167.53 14.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.64 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.5 mmm -106.39 -70.21 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.552 0.691 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.83 3.46 2.79 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 41.6 t -120.57 -49.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.94 -47.02 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.4 t -78.55 119.9 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.6 pt -100.85 -31.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -143.45 171.41 14.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -137.19 106.27 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.405 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 18.5 mtt85 -93.05 119.61 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.2 p -136.52 138.67 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 -115.21 4.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.57 35.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 25.6 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 145.59 57.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.484 ' CG ' ' SG ' ' A' ' 95' ' ' CYS . 53.4 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -45.58 119.4 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.92 38.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -133.3 143.61 48.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.58 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -104.57 5.37 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -97.94 -9.92 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -99.23 2.82 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.19 130.94 41.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.02 117.98 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -118.89 131.38 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.5 mm -103.18 90.55 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.74 109.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ARG . 12.1 m -92.03 170.56 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' ASP . 29.6 mtm180 -35.88 136.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' ARG . 2.4 t0 -34.39 100.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.4 22.25 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -174.4 143.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.1 m -157.98 132.77 8.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.9 mt -104.38 138.72 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.13 120.44 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.549 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 33.9 mt -125.5 155.15 41.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.484 ' SG ' ' CG ' ' A' ' 73' ' ' PRO . 50.0 t -140.09 113.42 8.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.16 153.4 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -54.38 -59.21 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -129.81 155.56 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.3 m -39.97 -49.87 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -52.79 -46.23 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.35 -44.15 88.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t -62.65 -55.16 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 12.0 mt -51.13 -38.92 54.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.63 -50.97 71.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.415 ' CD1' HD13 ' A' ' 14' ' ' LEU . 40.4 m95 -64.19 -54.24 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -42.81 -51.33 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.4 m-85 -53.13 -54.41 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 59.4 m -54.84 -51.31 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.5 mt -54.87 -44.17 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -59.98 -41.82 92.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -79.85 -19.84 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.3 p -78.76 -31.68 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -71.55 161.6 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -47.74 -55.84 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.52 -44.92 1.34 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -128.9 141.27 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -121.41 136.46 54.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.17 134.86 12.01 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -90.87 138.38 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.26 -56.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -145.8 121.08 10.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.461 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 62.5 p -115.78 131.66 56.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.78 179.8 39.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.48 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 68.7 m95 -97.1 137.2 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 37.3 mt -150.2 146.89 27.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.96 154.69 26.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -144.54 124.18 13.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.51 103.71 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 t -76.42 160.92 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.6 m -85.1 -20.79 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.94 -36.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.7 mt -89.78 -12.28 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.2 mttt 36.11 42.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -156.14 167.03 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -83.4 124.15 30.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -126.2 128.33 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 121.7 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -126.46 176.8 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.461 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 69.8 t-105 -118.35 110.38 17.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.409 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 36.9 m-85 -98.93 156.55 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 5.7 m-20 -159.07 112.57 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 tp -87.18 138.31 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -91.37 172.01 8.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -73.08 -28.28 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.07 5.46 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.75 -36.91 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -43.65 137.52 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.7 tp -120.74 130.78 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.1 mt -136.67 132.98 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -119.11 149.76 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 50.9 m-85 -113.77 -179.42 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.53 -35.67 34.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.49 179.78 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -55.71 -21.3 17.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.9 p -61.03 -30.93 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.49 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 19.6 mtm180 57.32 38.83 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -103.81 -39.49 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -97.39 82.07 3.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.67 95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.99 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -166.5 177.36 6.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -139.47 132.52 29.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.478 HG11 ' CB ' ' A' ' 57' ' ' ASP . 21.6 t -147.26 148.59 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.461 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.9 166.49 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.629 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 25.9 mmm -101.45 -69.9 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.79 3.27 2.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -122.19 -50.38 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' CB ' HG11 ' A' ' 52' ' ' VAL . 2.8 t70 -85.59 -45.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . 18.7 t -86.24 132.72 33.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.5 pt -110.39 -34.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -134.87 155.33 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.4 mt -129.82 114.3 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -110.54 147.45 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.5 p -140.69 131.35 25.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.457 ' N ' ' HG ' ' A' ' 67' ' ' CYS . . . 81.32 -140.74 21.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.567 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 71.7 m80 -59.86 -26.05 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -58.79 -40.39 83.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.457 ' HG ' ' N ' ' A' ' 64' ' ' GLY . 4.8 m -56.09 176.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -51.17 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -80.64 39.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 71' ' ' GLN . 1.5 pt -83.63 -174.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' N ' HG13 ' A' ' 70' ' ' ILE . 10.1 pt20 -145.31 141.67 17.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.657 0.742 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.29 57.48 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -174.85 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.4 147.11 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.37 40.97 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -149.91 137.56 11.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -164.6 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.567 ' HD3' ' CD2' ' A' ' 65' ' ' HIS . 13.6 ttt180 -112.82 -31.02 6.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -22.03 66.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.47 6.74 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.88 143.61 28.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 tp -139.84 118.44 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -115.49 156.09 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 58' ' ' CYS . 18.6 mm -131.03 108.07 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.8 t -81.5 111.1 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.21 171.84 14.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -61.77 -73.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -44.6 -57.67 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.6 -26.49 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -38.17 132.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.4 m -128.69 123.22 32.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.2 mt -105.09 124.39 59.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 m -97.94 117.8 33.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.409 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -119.45 162.66 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 49.0 t -146.59 130.9 17.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.86 160.02 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -55.57 -43.45 75.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -152.86 159.58 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -40.05 -42.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -55.89 19.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.15 -45.49 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 54.0 t -57.78 -55.03 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -49.94 -49.28 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.54 -53.69 42.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.435 ' CD1' HD13 ' A' ' 14' ' ' LEU . 36.2 m95 -58.25 -58.61 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -43.71 -56.97 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -56.61 -43.45 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m -56.86 -41.64 78.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.3 mt -68.65 -52.68 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.523 ' NE2' ' CZ ' ' A' ' 113' ' ' ARG . 32.7 mm-40 -52.07 -19.82 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.87 -45.3 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.9 p -62.62 -11.68 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.523 ' CZ ' ' NE2' ' A' ' 110' ' ' GLN . 51.2 mtm180 -67.7 -22.82 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.83 42.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.8 t -120.47 120.68 36.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 174.78 -80.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 118' ' ' SER . 54.2 Cg_endo -69.77 133.16 24.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.368 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 117' ' ' PRO . 22.8 t -37.38 140.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.6 t -109.25 -62.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.796 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -40.73 108.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -151.0 158.43 44.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.52 -151.36 49.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -111.28 -54.27 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -130.15 122.61 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' PHE . . . -91.18 92.9 1.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.6 m-85 -37.24 131.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -49.28 -59.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -144.6 142.45 30.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -138.02 136.31 36.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.58 165.28 37.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -77.92 125.46 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 105' ' ' TRP . 39.3 mt -141.99 148.58 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -88.54 151.78 22.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NH1' ' CZ ' ' A' ' 39' ' ' TYR . 47.4 ttt180 -142.24 116.53 9.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.68 106.82 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 p -68.27 164.74 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -96.57 -18.58 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 91.5 mt -94.6 -54.43 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.1 mp -78.1 -13.38 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 46.42 39.35 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -142.81 160.29 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -77.46 115.14 16.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.62 132.09 56.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 124.24 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -133.25 154.81 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 53.5 t-105 -92.49 128.81 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 61.0 m-85 -116.44 148.27 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 3.6 m-20 -155.8 112.78 3.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tp -88.27 142.85 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -96.15 174.75 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -77.25 -30.11 54.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -7.22 57.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.21 -28.78 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -54.85 135.85 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.4 tp -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.3 mt -131.46 135.65 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -125.27 148.87 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 m-85 -118.03 164.71 14.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -66.36 -39.77 89.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p30 -144.22 -178.17 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.5 -28.87 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.2 p -58.43 -13.76 6.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 16.8 mtt85 42.75 41.15 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.34 -12.95 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -129.26 90.02 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.37 97.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -48.92 -68.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 5.9 m-20 -164.08 159.91 21.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.11 137.05 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.2 t -150.46 139.36 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.467 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -82.95 167.51 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -103.8 -70.39 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.78 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 13.2 t -122.52 -49.12 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.49 -43.15 10.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.465 ' SG ' ' CG2' ' A' ' 84' ' ' ILE . 36.9 t -85.01 136.1 33.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -114.57 -30.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -140.25 170.69 15.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.3 mt -140.54 108.28 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -97.01 131.45 43.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 p -145.08 149.06 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.86 -124.86 7.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -88.36 15.56 7.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -87.64 -38.7 15.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.471 ' CB ' HD13 ' A' ' 70' ' ' ILE . 13.3 m -47.16 165.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -156.96 141.64 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 t70 71.72 28.53 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 67' ' ' CYS . 5.0 pt -142.53 -177.79 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.15 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -155.17 138.54 10.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 147.5 62.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.38 21.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -43.7 129.77 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 87.97 20.79 48.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 18.2 mmtp -146.58 139.58 14.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -164.37 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -102.91 -41.72 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -53.27 -17.71 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.0 p -91.5 15.36 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.7 mt -99.3 131.59 45.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -127.02 130.49 50.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -131.6 150.58 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.465 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 7.8 mm -125.52 117.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -86.53 120.98 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 49.4 m -89.18 175.42 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -72.39 -67.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.91 -60.47 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 33.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -101.9 102.83 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -92.31 126.62 37.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.462 HG23 ' CZ ' ' A' ' 16' ' ' ARG . 72.5 mt -106.66 119.51 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -95.78 123.77 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.407 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -128.38 162.67 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.1 t -144.59 131.4 20.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.61 171.12 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.54 -35.21 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -158.89 161.55 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.5 m -42.78 -43.45 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -56.23 -44.79 79.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.77 -51.56 61.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.1 t -55.75 -49.19 73.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 107' ' ' PHE . 26.3 mt -58.01 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.34 -45.87 17.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.549 ' CD1' HD13 ' A' ' 14' ' ' LEU . 37.4 m95 -69.8 -41.81 74.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -58.59 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 103' ' ' LEU . 15.1 m-85 -56.44 -45.64 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.7 m -65.66 -46.66 78.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.58 -37.03 84.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -66.84 -27.65 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -94.14 -13.98 26.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.3 p -84.96 -24.22 28.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -80.25 -28.73 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.51 -62.2 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 m -87.32 87.86 7.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -125.96 -88.61 0.71 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.14 17.06 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.4 p -164.09 176.92 8.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.8 p -101.5 157.69 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -56.37 -54.87 40.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.826 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 38.3 m -119.62 90.76 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.39 65.69 0.34 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -129.29 120.15 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.37 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -53.24 -40.39 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.91 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.94 108.37 2.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -93.81 127.63 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.7 t -48.85 -60.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 41.9 tttp -148.61 128.85 13.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.487 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 62.4 p -118.23 133.1 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.94 177.91 40.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.54 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 77.0 m95 -97.79 144.02 27.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 58.8 mt -155.6 147.51 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.56 122.13 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -111.46 126.49 55.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -75.25 129.53 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -91.83 159.37 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 p -100.74 5.69 43.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.0 -27.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.69 -5.69 15.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp 41.43 45.74 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -150.02 162.22 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -83.66 129.13 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 136.37 52.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.6 tttm -68.99 132.73 47.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -139.4 165.96 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.484 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 51.4 t-105 -111.23 110.01 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 74.0 m-85 -98.65 156.18 16.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.487 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 32.4 m-20 -158.77 112.87 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' VAL . 10.7 tp -88.35 139.67 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.0 m0 -92.45 155.02 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -54.95 -31.63 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.4 -24.25 60.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.24 -26.03 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -52.48 140.71 21.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 tp -118.16 130.02 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -138.28 129.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -116.21 156.35 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 41.5 m-85 -123.57 172.5 8.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -75.23 -34.0 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.7 p30 -153.68 178.43 9.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -56.66 -34.02 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.0 p -56.89 -20.18 21.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.517 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 55.0 mtm180 45.59 40.17 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -100.3 -15.72 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -125.23 78.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.5 mt -48.19 120.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 11.1 mm-40 -72.02 -56.12 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.526 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -174.06 160.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -123.35 138.07 54.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -153.34 150.02 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.45 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -93.18 165.7 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.4 mmm -100.95 -69.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.84 3.86 2.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.45 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -123.19 -49.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.468 ' CB ' HG11 ' A' ' 52' ' ' VAL . 2.6 t0 -87.34 -49.99 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.0 t -75.39 117.83 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.426 ' CG2' ' HG3' ' A' ' 87' ' ' ARG . 20.0 pt -99.84 -30.21 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -143.32 168.92 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.65 126.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -110.5 142.33 42.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.6 p -146.19 133.64 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.91 -131.66 10.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.468 ' CD2' ' HG2' ' A' ' 78' ' ' ARG . 73.7 m-70 -85.45 29.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -99.33 -33.18 10.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.461 ' CB ' HD11 ' A' ' 70' ' ' ILE . 3.8 m -55.42 171.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 69' ' ' ASP . 12.8 tpt180 -152.98 150.45 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 4.7 m-20 63.95 25.04 13.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.461 HD11 ' CB ' ' A' ' 67' ' ' CYS . 3.2 pt -143.7 172.95 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.422 ' HG2' ' C ' ' A' ' 70' ' ' ILE . 61.9 mm-40 -152.22 141.34 14.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.91 65.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.04 32.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.07 124.6 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.13 18.12 34.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -144.36 139.61 15.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -166.38 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 65' ' ' HIS . 8.0 tpt180 -96.38 -43.41 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.2 -19.2 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.87 14.7 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.5 mt -102.24 137.45 40.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 tp -134.49 119.91 19.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.461 ' NE2' HD13 ' A' ' 70' ' ' ILE . 12.3 tt0 -115.57 139.88 49.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.8 mm -117.54 96.03 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.42 103.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.6 m -65.01 -176.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' HG3' ' CG2' ' A' ' 59' ' ' ILE . 3.7 ttt180 -101.62 -50.74 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' GLY . 9.1 m-20 -79.14 70.57 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 35.71 85.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 91' ' ' THR . 37.9 tttt -174.8 160.3 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.46 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 54.9 m -151.59 142.52 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -115.17 116.2 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.58 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.5 mt -112.34 159.64 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.6 t -143.86 128.9 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.36 157.47 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.73 -42.75 93.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.8 p -148.77 162.38 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.8 m -43.71 -44.1 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -49.86 71.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.54 -49.92 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.5 t -53.75 -48.97 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.77 -45.88 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.96 -56.15 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.41 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 27.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -55.05 -49.28 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -56.36 -41.88 76.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -66.17 -43.07 87.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.88 -51.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -54.14 -20.88 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.93 -45.01 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.5 p -56.77 -35.6 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -70.0 -45.16 67.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.1 t -89.02 20.24 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -87.08 111.28 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 115.95 -161.02 13.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 124.86 11.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.8 p -41.79 141.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.4 t -40.54 148.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -106.64 -46.33 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -113.93 122.27 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.44 -81.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -119.79 -56.92 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -153.93 150.0 27.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.43 161.43 28.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.511 ' CE2' ' NH1' ' A' ' 45' ' ' ARG . 20.3 m-85 -85.65 129.38 34.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.955 0.407 . . . . 0.0 110.838 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.65 -60.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.7 tttp -142.02 144.55 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 p -136.5 131.35 33.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.584 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -160.36 -178.76 34.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.527 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 65.2 m95 -96.54 128.93 43.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 56.0 mt -144.09 148.83 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -90.24 147.71 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -133.77 130.23 37.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.29 127.9 34.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -92.75 173.91 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.2 p -107.98 -21.26 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.3 mt -98.43 -39.72 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.2 mp -89.18 -3.13 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' LEU . 46.9 mmtt 34.48 50.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.48 173.4 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -94.62 129.87 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -124.72 139.66 53.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 55.2 tttt -66.67 130.34 42.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -137.07 164.67 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 45.5 t-105 -108.42 114.77 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 70.1 m-85 -100.95 153.69 19.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -157.21 112.0 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.5 tp -85.33 142.98 28.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -96.61 174.46 6.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -75.36 -30.21 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.22 2.32 44.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.52 -36.31 4.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -43.63 134.89 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 tp -117.73 129.8 55.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mt -136.21 128.44 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -115.59 163.92 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.503 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 22.2 m-85 -131.91 162.01 31.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.23 -46.53 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -133.63 -175.6 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -69.04 -13.43 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -70.13 -16.54 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.511 ' NH1' ' CE2' ' A' ' 8' ' ' PHE . 35.9 mtm180 41.03 36.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -94.78 -22.95 17.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -121.13 87.52 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 mt -51.37 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -54.92 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -171.71 174.4 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -136.83 143.86 43.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.7 t -160.07 129.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.461 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -75.22 167.05 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.635 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 25.7 mmm -103.49 -70.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.2 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.616 2.211 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 39.4 t -122.69 -47.23 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -87.08 -46.07 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.6 t -84.58 139.73 31.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.9 -23.75 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -142.79 158.12 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -134.46 109.03 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 66' ' ' GLU . 14.4 mtp180 -97.6 146.05 25.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 p -146.12 137.3 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.22 -116.91 4.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -87.68 -17.69 31.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . 8.9 mm-40 -59.95 -21.62 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.6 m -51.09 -176.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.0 mmm-85 -88.23 62.17 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 46.93 27.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 pt -77.27 -174.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -139.35 133.55 16.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.576 0.703 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 160.54 49.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.46 21.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -39.85 116.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.96 -29.87 6.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -102.74 143.7 27.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -166.57 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -98.77 -38.09 9.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.4 -16.86 39.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 22.7 m -88.9 3.82 50.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.2 mt -85.2 132.7 34.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 tp -131.89 117.78 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -113.81 146.36 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.3 mm -125.1 108.37 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -80.26 116.88 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.8 m -90.14 -176.2 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -84.53 -45.18 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 90' ' ' LYS . 10.5 m-20 -77.11 57.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 36.51 30.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' ASP . 22.1 tptt -100.03 139.22 36.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -133.92 137.45 44.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.47 117.42 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -88.29 115.08 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.446 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 67.2 mt -116.99 162.57 17.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -148.52 133.49 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.89 -179.84 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.0 -29.11 13.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 t -145.78 146.4 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -41.45 -45.34 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.81 -45.95 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -48.82 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.4 t -56.76 -53.65 55.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.1 mt -52.68 -50.99 62.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.65 -55.79 10.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.406 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 18.3 m95 -53.34 -51.81 61.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -54.27 -51.45 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -56.35 -45.02 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.8 m -59.4 -50.44 73.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 7.4 mt -61.22 -58.37 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -44.53 -25.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -85.73 -40.37 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -13.4 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 16.7 mtm105 -69.48 -38.85 77.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.1 t -103.02 -16.61 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 63.3 p -115.68 116.35 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -164.83 -90.78 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.39 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.349 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t 69.96 43.77 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.2 p -48.48 -58.69 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -121.21 155.9 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -114.32 17.06 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.89 -110.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t 56.54 42.47 27.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -90.81 90.36 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.42 76.75 2.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -38.73 129.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.9 t -47.33 -53.42 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -146.99 139.28 24.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.438 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 97.7 p -134.28 142.4 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.04 31.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.494 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 93.8 m95 -76.87 136.98 38.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 39.7 mt -151.17 140.28 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.25 136.88 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -126.72 131.17 51.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.17 123.36 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -103.66 159.25 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -86.73 -27.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 mm -82.54 -27.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.4 mt -103.38 -22.53 13.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm 46.92 39.71 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -157.32 148.57 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -67.96 117.08 9.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -120.52 127.92 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 134.43 27.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -144.24 156.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.478 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 74.4 t-105 -103.77 127.62 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 58.9 m-85 -116.44 149.8 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' OD2' ' CD1' ' A' ' 28' ' ' TRP . 68.5 m-20 -152.54 116.78 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' VAL . 6.6 tp -92.42 134.11 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -89.32 164.99 14.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -67.3 -30.35 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.08 -3.98 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.99 -35.71 4.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -46.76 135.24 9.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 tp -118.81 130.18 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 mt -135.05 129.11 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -116.11 155.26 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.7 m-85 -125.03 168.34 13.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.42 -34.9 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.09 -177.95 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -25.42 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -56.26 -28.4 58.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 58.23 39.79 25.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -94.47 -40.52 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.6 m -111.26 103.68 12.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.5 108.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.64 -63.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -168.11 177.68 5.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -137.12 136.15 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.461 HG12 ' CB ' ' A' ' 57' ' ' ASP . 23.8 t -152.01 142.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -88.59 166.88 13.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.3 mmm -101.13 -70.25 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -121.99 -50.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' CB ' HG12 ' A' ' 52' ' ' VAL . 4.3 t70 -86.33 -43.73 12.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.45 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . 1.5 t -86.11 133.92 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.4 -30.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -143.51 147.08 33.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.5 mt -116.01 115.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -106.58 138.17 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.2 p -144.1 161.89 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.36 -101.48 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -103.71 -31.53 9.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -42.17 -50.38 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -40.35 161.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 67' ' ' CYS . 80.6 mtt180 -51.91 -173.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -74.96 45.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 71' ' ' GLN . 1.4 pt -83.85 -175.13 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.462 ' N ' HG13 ' A' ' 70' ' ' ILE . 12.1 pt20 -150.2 137.98 11.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 160.13 50.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.287 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 54.2 Cg_endo -69.69 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -97.59 120.03 37.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.08 -7.06 56.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 97' ' ' GLU . 11.0 mmmt -115.59 141.0 26.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.384 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.0 ttm-85 -96.85 -32.68 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.06 -15.24 55.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.4 m -90.23 8.08 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.06 116.7 27.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 tp -112.73 140.91 47.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -139.51 159.99 40.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 58' ' ' CYS . 4.1 mm -140.46 114.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.32 129.03 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.09 -178.66 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -72.69 -63.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.36 -63.72 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.69 33.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -100.75 105.8 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -95.03 131.67 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.0 mt -107.29 123.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 120.17 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 30.0 mt -130.31 157.41 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 t -142.99 149.85 38.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.07 -176.05 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 6.7 tt0 -101.61 -29.4 11.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -143.97 135.85 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.9 m -40.54 -39.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -54.81 -43.62 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.1 -57.14 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.16 -48.52 23.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.9 mt -60.13 -40.47 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.96 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -59.57 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -56.94 -57.43 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.4 m-85 -52.0 -41.09 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.9 m -66.02 -46.71 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.5 mt -61.8 -35.58 78.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -72.24 -34.7 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.1 -29.69 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -74.56 -21.19 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 13.9 mtp-105 -53.6 -49.74 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 115' ' ' SER . 11.4 t -97.04 -40.45 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 114' ' ' THR . 1.5 t -69.48 88.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -179.17 149.16 8.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -7.42 20.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.1 m -39.41 -52.36 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.4 p -89.26 130.78 35.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -144.9 123.58 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 p -95.91 101.03 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.12 159.43 20.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -64.93 106.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -66.15 132.29 48.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.5 139.19 27.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -91.69 132.29 36.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.45 -59.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -149.15 140.99 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.6 p -130.24 133.32 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.82 175.91 41.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.414 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 76.8 m95 -89.11 139.2 30.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 105' ' ' TRP . 51.5 mt -153.83 147.36 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.48 150.0 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -136.44 110.79 8.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.97 105.12 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 m -70.26 -178.57 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -107.57 -24.59 11.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.6 mt -86.74 -48.25 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.03 -14.47 50.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt 40.83 49.74 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -152.69 153.12 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.47 114.23 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.4 135.51 53.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -64.19 133.37 52.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -142.46 165.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 64.2 t-105 -107.9 129.73 55.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 52.8 m-85 -117.64 160.3 21.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 27.7 m-20 -162.18 118.27 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -92.81 143.68 26.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -98.2 151.78 20.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 t -52.32 -31.66 34.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.4 -22.03 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.7 -30.51 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -50.1 136.29 19.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.02 129.78 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.3 mt -134.24 131.56 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -118.93 157.68 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.458 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 46.3 m-85 -124.51 172.04 9.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.06 -30.18 60.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -157.91 -175.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -71.94 -6.83 44.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -75.25 -22.95 57.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 37.3 mtt180 51.9 28.8 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -82.91 -43.23 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -114.72 103.6 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mt -65.35 117.42 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.33 -62.01 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -171.7 166.21 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -130.51 141.57 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.3 t -155.92 148.3 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.471 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -93.67 167.66 11.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.629 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.0 mmm -103.03 -70.35 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.0 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -120.62 -53.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.01 -46.46 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.84 148.2 27.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 pt -120.91 -28.81 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.3 161.25 41.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.9 mt -122.45 120.89 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -112.4 123.46 50.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.7 p -127.41 138.18 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -122.7 9.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -64.83 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.709 0.29 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -52.73 -24.08 8.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 63.4 m -49.66 179.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -87.72 66.15 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 44.3 29.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.7 pt -83.35 -174.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -139.84 139.65 22.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 164.15 35.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.94 149.88 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.81 38.52 30.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -146.94 136.42 11.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.723 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -173.79 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -105.41 -22.04 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -73.59 -7.74 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -101.16 11.44 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.9 mt -91.48 142.18 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 109' ' ' LEU . 4.1 tp -133.07 123.91 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -124.32 150.79 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mm -127.65 127.69 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.31 132.26 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.5 m -96.47 -175.45 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -90.73 -18.13 25.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -105.51 25.57 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.27 -25.21 4.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -48.61 133.3 16.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -132.1 135.75 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -111.89 127.72 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.32 126.69 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.553 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 55.9 mt -131.67 163.16 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 49.1 t -144.79 146.17 32.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.79 161.57 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -57.54 -36.09 71.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -160.04 168.77 24.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.8 m -46.96 -46.61 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.52 -48.36 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.97 -40.46 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 35.3 t -62.81 -56.54 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.59 -44.76 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.1 -59.24 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.485 ' CE2' HD11 ' A' ' 14' ' ' LEU . 30.6 m95 -53.7 -53.44 52.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -47.52 -59.74 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -50.89 -37.58 44.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.2 m -66.35 -53.09 40.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 11.3 mt -60.19 -48.4 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -55.41 -25.4 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -87.94 -40.1 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 p -61.6 -14.97 34.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 115' ' ' SER . 60.7 mtm180 -59.09 -47.23 86.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 113' ' ' ARG . 12.5 t 35.24 32.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 113' ' ' ARG . 4.8 t -95.78 42.47 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.67 91.65 2.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -30.13 22.65 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.2 m -50.55 -53.57 29.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -108.26 125.35 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 p -170.02 158.97 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -87.31 176.03 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.18 -63.84 0.33 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.546 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -91.59 42.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -43.78 -51.79 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 60.63 0.97 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -41.74 132.97 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -44.65 -57.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -148.08 143.01 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -133.46 140.44 47.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.15 166.39 39.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.495 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 74.4 m95 -78.23 142.94 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 39.2 mt -157.78 141.75 15.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.4 mt -85.22 146.84 26.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -136.49 138.32 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.81 102.61 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -73.73 150.96 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -83.61 -5.11 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.176 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.83 -49.29 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 -8.53 49.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 43.5 40.12 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 3.3 ptm85 -144.16 169.73 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -88.37 119.59 28.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -123.61 133.92 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.21 129.27 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -136.09 164.74 27.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 65.5 t-105 -104.74 123.99 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CZ ' ' CD2' ' A' ' 94' ' ' LEU . 45.3 m-85 -113.0 154.58 26.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.3 m-20 -156.92 119.86 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.76 140.87 29.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -94.93 172.0 8.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.1 p -74.84 -23.5 58.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.97 -0.35 57.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.39 -28.09 17.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -51.95 135.55 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.6 tp -118.31 129.76 55.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.0 mt -134.43 132.81 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -121.02 160.52 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.92 160.94 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.34 -41.52 80.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 -176.1 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -62.24 -19.28 63.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.1 p -65.96 -30.87 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 57.4 45.92 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.38 -23.9 15.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -130.23 102.16 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.38 100.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -46.26 -71.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.415 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 20.3 m-20 -163.66 160.89 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -124.68 141.83 51.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.2 t -158.51 136.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.474 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -79.78 167.35 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.3 mmm -103.85 -70.23 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.4 Cg_endo -69.74 2.48 3.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.474 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 16.7 t -121.38 -48.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.19 -47.12 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 41.8 t -78.6 119.95 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.421 HD11 ' CG ' ' A' ' 88' ' ' ASP . 14.5 pt -101.79 -29.33 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -141.8 170.59 15.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mt -139.3 112.93 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -100.19 117.23 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.6 p -133.36 157.01 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.56 -113.27 3.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.6 m80 -92.78 -17.84 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -45.52 -52.38 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.438 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 3.7 p -67.78 114.88 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -119.36 -30.85 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.0 -4.87 10.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.412 ' C ' ' HG2' ' A' ' 71' ' ' GLN . 4.0 pt -121.38 -176.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.412 ' HG2' ' C ' ' A' ' 70' ' ' ILE . 35.5 mm-40 -144.74 133.28 10.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 140.86 43.47 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 131.27 20.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -42.21 136.13 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.09 -1.66 80.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -124.58 139.45 33.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.53 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 67' ' ' CYS . 3.1 mtp180 -97.92 -41.97 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.58 -20.99 23.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.4 m -81.88 14.94 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.2 mt -100.06 129.28 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 tp -127.88 127.11 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 67' ' ' CYS . 6.2 tt0 -127.22 151.61 48.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.2 mm -130.97 97.93 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.66 106.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ARG . 28.6 t -91.24 116.46 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' CYS . 18.1 mtp180 34.21 36.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 86' ' ' CYS . 14.3 m-20 46.78 52.96 10.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.48 -51.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -115.82 90.8 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.4 m -79.51 133.12 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -108.09 115.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.65 116.3 28.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.439 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 18.4 mt -123.08 168.43 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.7 t -156.71 126.22 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.46 177.01 7.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -89.07 -48.9 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 101' ' ' ASP . 4.4 m -123.65 145.68 48.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.4 m -39.92 -44.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -41.76 93.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.7 OUTLIER -61.63 -46.27 90.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.09 -53.16 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.1 mt -56.55 -55.13 37.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -40.09 -48.62 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -62.63 -55.05 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -44.32 -59.68 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -44.77 -51.68 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 m -60.05 -40.7 90.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.59 -54.82 29.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.96 -42.47 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' SER . 5.4 t70 -65.81 -58.09 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.5 m -36.91 -37.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 13.1 mtp-105 -47.42 -64.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.8 t -106.06 44.05 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.6 p -70.86 110.65 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 166.42 175.91 37.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -45.62 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -164.5 174.79 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.6 p -121.26 125.52 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -94.5 -61.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.878 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -73.96 102.96 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.96 -66.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -69.25 140.7 54.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -116.44 -40.05 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.75 109.08 2.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -95.68 142.64 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.45 -58.62 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -143.44 127.83 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -117.14 128.68 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.476 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -164.96 172.92 40.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 82.3 m95 -92.45 130.82 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 105' ' ' TRP . 60.6 mt -142.78 144.49 32.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD22 ' CA ' ' A' ' 26' ' ' LYS . 81.7 mt -79.1 146.45 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -141.2 127.79 20.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -85.17 117.33 24.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -80.3 177.55 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.5 p -98.44 -29.27 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.7 -45.8 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.31 -23.7 46.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 42.36 48.8 4.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -150.49 151.09 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -75.07 116.71 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -125.8 135.91 52.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' CA ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.36 130.74 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -135.86 165.11 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.476 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 27.4 t-105 -98.1 117.95 33.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 31.7 m-85 -105.99 151.87 24.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -156.21 112.6 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 tp -88.14 148.64 24.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -101.6 150.17 23.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -51.84 -38.87 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.808 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -69.3 -28.93 66.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.99 -27.47 3.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -53.61 136.11 39.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.4 tp -116.87 130.16 56.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.8 mt -137.45 128.09 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -116.0 157.61 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -122.83 178.88 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.13 -37.99 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -145.5 178.67 7.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.43 -14.41 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -67.27 -24.41 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 28.8 mtt85 56.88 28.79 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -91.99 -27.04 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -120.37 110.71 16.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.502 HD13 ' CD2' ' A' ' 40' ' ' TYR . 39.2 mm -75.55 129.55 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.73 -51.09 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 t70 -174.29 -178.92 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -147.6 137.81 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.2 t -157.79 151.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.469 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -97.77 167.16 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.4 mmm -103.9 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.2 Cg_endo -69.7 2.73 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 15.5 t -121.79 -47.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.63 -47.72 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 43.8 t -76.93 144.99 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 pt -127.77 -29.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -143.05 158.33 43.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.417 HG13 ' NH2' ' A' ' 113' ' ' ARG . 20.4 mt -131.17 111.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -91.14 119.36 31.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.1 p -140.4 134.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.58 -114.74 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -89.74 31.41 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.765 0.316 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.14 -25.5 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.1 106.43 17.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 -121.81 -7.19 9.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -101.61 4.16 40.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.466 HG21 ' NE2' ' A' ' 83' ' ' GLN . 3.6 pt -127.29 -177.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -144.98 122.46 6.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.91 61.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.75 23.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -44.45 115.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.65 -38.47 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -87.49 142.99 33.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -167.03 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -104.15 -33.86 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -67.5 -6.46 19.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.66 10.01 42.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt -91.99 127.79 37.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.3 tp -122.4 126.06 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.466 ' NE2' HG21 ' A' ' 70' ' ' ILE . 5.8 tt0 -121.47 147.63 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.3 mm -126.95 92.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -73.78 124.3 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.53 -179.41 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 44.6 mtt180 -68.4 -59.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.98 -67.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.67 -37.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' GLY . 32.2 tttm -35.34 120.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.1 m -114.65 137.83 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.2 mt -107.82 122.15 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -98.74 113.56 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.1 mt -120.76 164.59 16.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -149.98 138.39 20.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.04 154.86 19.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -45.91 -41.14 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 t -159.24 164.86 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.1 m -42.74 -54.71 3.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -43.92 -46.12 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.03 -55.56 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.7 t -49.28 -54.8 15.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.4 mt -48.62 -52.76 21.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.11 -56.89 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.457 ' CD1' HD12 ' A' ' 14' ' ' LEU . 43.4 m95 -58.4 -55.1 39.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -41.12 -59.48 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -46.42 -49.91 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.2 m -58.08 -39.88 79.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.87 -57.79 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -52.95 -26.47 15.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.61 -34.63 17.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 p -71.71 -20.75 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.417 ' NH2' HG13 ' A' ' 61' ' ' ILE . 6.3 ptp180 -89.33 -11.5 43.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.2 t -132.14 47.86 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.2 t -150.5 112.7 4.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.34 -86.63 0.33 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.8 Cg_endo -69.8 -29.45 23.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 117' ' ' PRO . 8.2 m -34.64 122.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 m 51.94 47.42 24.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -113.58 168.57 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -134.82 126.86 29.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -170.68 -39.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.4 m -35.56 -48.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 p -147.89 119.24 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.13 130.31 13.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -96.5 136.36 37.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 t -60.11 -58.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' HZ3' ' N ' ' A' ' 105' ' ' TRP . 52.6 tttt -143.92 134.37 24.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.7 p -132.29 139.39 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.62 176.15 45.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.425 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 72.8 m95 -92.09 139.08 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD13 ' CD1' ' A' ' 105' ' ' TRP . 69.1 mt -151.98 149.29 28.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 17.1 mt -80.31 151.52 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -146.83 120.82 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -81.61 106.32 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 p -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.4 p -93.67 -34.51 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -78.65 -66.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' LYS . 30.6 mt -65.48 -15.91 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' LEU . 25.8 mtmt 37.96 54.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -153.17 158.25 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 71' ' ' GLN . 95.3 m95 -80.75 106.95 13.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -113.88 143.08 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 1.2 tppt? -75.09 127.47 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -131.26 174.9 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.425 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 59.1 t-105 -110.66 113.94 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.566 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 69.4 m-85 -105.68 143.92 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.96 125.41 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 tp -93.9 145.91 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -100.5 157.63 16.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -59.63 -35.95 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.91 -9.27 58.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.82 -36.71 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.482 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 14.5 m80 -43.43 135.04 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -116.88 130.03 56.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.4 mt -134.31 136.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -126.43 150.83 48.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 48' ' ' ILE . 48.1 m-85 -118.39 168.87 10.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.49 -44.9 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -140.26 177.4 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -62.74 -8.48 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p -77.53 -18.56 56.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 63.6 mtt180 49.35 41.63 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -99.62 -30.58 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.04 86.73 2.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.536 HG12 ' CE2' ' A' ' 40' ' ' TYR . 97.0 mt -56.14 111.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.77 -61.23 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 27.7 t70 -173.4 158.22 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -123.5 133.25 54.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -153.28 136.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 2.6 t-160 -78.97 167.32 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.636 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.0 mmm -102.87 -70.36 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.46 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 3.4 t -122.36 -50.42 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.58 -52.47 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 37.5 t -69.86 125.18 25.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.39 -23.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.16 152.02 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.442 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 89.8 mt -123.53 113.01 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -97.16 122.27 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.9 p -138.05 145.56 41.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 -106.63 2.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' GLU . 91.4 m-70 -93.07 -35.0 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.737 0.303 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' HIS . 6.7 mm-40 -34.17 -50.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.8 p -72.13 115.15 11.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -124.27 -21.33 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -80.83 13.44 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.451 HG22 ' NE2' ' A' ' 83' ' ' GLN . 17.3 pt -133.35 -176.9 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 13.6 pt20 -143.05 124.9 8.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.46 65.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.91 55.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -55.83 128.14 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 21.95 38.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -143.68 136.73 13.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.552 0.692 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.27 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -96.07 -37.3 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.3 -12.49 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.3 p -93.99 12.04 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.6 mt -98.17 128.94 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 tp -120.69 125.91 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.451 ' NE2' HG22 ' A' ' 70' ' ' ILE . 11.3 tt0 -127.9 149.74 50.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.8 mm -130.83 100.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 86' ' ' CYS . 42.0 t -73.57 141.02 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.408 ' N ' HG13 ' A' ' 85' ' ' VAL . 3.1 m -106.81 -175.0 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -84.99 -38.59 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.26 24.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 84.9 -36.91 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLY . 62.8 tttm -35.22 148.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.2 m -150.84 137.5 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.0 mt -107.9 122.38 62.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -93.88 117.93 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 7.1 mt -128.56 164.71 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.9 t -153.63 137.21 15.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.73 159.47 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -50.36 -56.0 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.5 p -135.03 163.67 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.5 m -44.17 -54.41 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -46.16 -46.34 17.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -59.59 -47.69 84.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.83 -56.2 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.3 mt -47.59 -48.15 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -47.1 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.524 ' N ' ' HZ3' ' A' ' 10' ' ' LYS . 39.0 m95 -53.08 -55.89 20.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -42.18 -58.28 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 22.4 m-85 -45.86 -49.14 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.1 m -62.28 -51.99 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.0 mt -53.01 -48.45 67.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -62.93 -35.77 81.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.24 -35.4 78.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 p -65.85 -12.32 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -93.99 37.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.09 -53.21 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 m -63.96 123.65 19.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.68 83.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 131.32 20.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.258 . . . . 0.0 112.321 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.1 p -168.83 117.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 56.7 m -44.99 -62.66 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -153.25 152.93 31.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -90.01 157.01 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.34 -130.72 10.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -142.51 126.73 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -72.83 129.75 38.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.53 136.5 13.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 12.5 m-85 -87.43 135.42 33.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -49.5 -62.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.473 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 46.4 tttp -136.08 144.44 45.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.527 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 39.5 p -136.98 141.85 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.472 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -177.24 175.16 47.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -92.73 137.32 32.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.1 mt -147.82 142.36 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.1 126.83 33.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -121.23 115.6 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -71.91 122.88 21.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -98.6 170.0 9.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -87.31 -35.36 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -71.58 -68.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.1 mt -65.6 -8.25 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.2 mtmp? 35.39 54.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -166.21 167.23 16.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -80.27 125.51 29.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -126.29 128.63 47.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -63.89 132.22 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -136.43 175.93 9.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.527 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 57.6 t-105 -115.09 113.32 23.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 35.8 m-85 -100.11 150.14 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.513 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 7.1 m-20 -154.74 112.83 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 tp -85.74 140.58 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.3 161.2 14.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 p -66.77 -24.56 66.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.74 9.97 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 -38.89 3.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -43.07 135.21 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 tp -120.26 129.67 54.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.4 mt -136.11 134.72 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 1.7 p90 -123.91 152.06 42.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 45' ' ' ARG . 21.8 m-85 -117.29 178.96 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 19.4 t0 -81.36 -22.77 38.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 64.6 m-20 -163.61 -174.97 3.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.486 ' NE2' ' H ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -76.64 47.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 p -114.76 -14.72 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 15.7 mtt180 41.15 29.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -119.26 -33.35 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -102.83 76.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.403 HG12 ' CE2' ' A' ' 40' ' ' TYR . 82.2 mt -55.81 116.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -73.3 -48.37 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 26.8 t0 -169.45 172.07 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -140.99 134.01 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -152.58 137.11 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.456 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -82.56 166.46 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.625 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.5 mmm -101.12 -70.05 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.625 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.73 3.36 2.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -122.38 -50.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.468 ' CB ' HG12 ' A' ' 52' ' ' VAL . 1.3 t70 -84.1 -61.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.38 133.89 48.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.0 pt -109.98 -27.87 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -139.91 161.61 37.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -135.31 126.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -125.55 148.91 48.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 p -138.76 152.47 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.34 -139.3 41.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -51.44 -36.01 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -49.13 -34.85 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.47 ' HB3' ' NE2' ' A' ' 83' ' ' GLN . 34.1 m -57.28 164.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -51.83 -174.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -75.71 45.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 71' ' ' GLN . 3.0 pt -89.56 -174.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.436 ' N ' HG13 ' A' ' 70' ' ' ILE . 3.4 pm0 -144.35 141.6 18.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.19 66.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -164.62 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.44 149.54 30.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.81 15.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 97' ' ' GLU . 14.6 mmtt -146.41 131.94 9.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 173.62 10.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.318 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -102.23 11.78 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.53 -13.04 16.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.58 5.4 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -74.93 141.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 tp -133.99 133.92 41.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.47 ' NE2' ' HB3' ' A' ' 67' ' ' CYS . 13.4 tt0 -131.82 153.22 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.67 127.71 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.3 t -95.63 120.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.3 m -88.45 -175.72 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -89.99 -9.14 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -106.38 44.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 47.33 20.62 0.95 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -89.65 156.67 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.6 m -140.46 128.73 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 118.51 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 m -88.27 122.76 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.537 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 15.9 mt -128.38 164.35 22.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 t -144.55 137.44 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 97' ' ' GLU . . . -104.89 141.23 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.42 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 5.8 tt0 -37.7 -48.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -146.61 165.41 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -45.54 -54.24 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -49.2 -44.82 43.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.75 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.9 t -61.73 -53.29 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.524 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.9 mt -51.83 -49.09 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.53 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.473 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 21.6 m95 -64.72 -46.62 81.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -57.32 -48.15 79.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 23.5 m-85 -58.04 -51.83 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m -62.02 -36.5 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.3 mt -72.84 -30.35 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -78.63 -37.12 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.92 -20.63 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -81.06 -21.54 39.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -88.38 -31.62 18.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.59 43.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.6 p -78.07 109.31 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.96 83.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.01 22.52 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.728 2.286 . . . . 0.0 112.318 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.6 p -76.02 157.95 32.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.9 p -155.68 144.5 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -142.77 133.65 25.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.825 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -81.51 149.67 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.58 -74.84 0.22 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -47.04 173.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -83.04 160.83 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.92 133.79 11.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -93.43 135.45 34.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.8 t -46.14 -58.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 49.6 tttp -143.17 144.36 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.486 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 82.8 p -133.77 141.37 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.411 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -174.25 158.17 26.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.481 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 88.3 m95 -77.29 135.59 38.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.537 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 31.0 mt -148.0 139.75 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -84.29 124.36 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 35.6 ttp85 -112.92 132.03 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -83.8 96.37 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -64.68 174.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 p -97.25 -25.93 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mt -88.91 -58.58 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.13 -14.96 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 39.68 52.77 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -166.01 164.72 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -76.96 113.68 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -116.47 133.39 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 2.6 ttpm? -63.64 130.57 44.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -137.56 175.11 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 37.3 t-105 -117.83 112.52 20.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 63.5 m-85 -98.69 148.93 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 72.3 m-20 -155.35 114.15 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 tp -86.83 147.02 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -100.35 171.53 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 t -71.39 -29.74 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.02 8.15 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.43 -34.47 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -46.42 134.27 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -117.06 129.53 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.0 mt -135.19 132.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 1.2 p90 -119.9 159.97 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 45' ' ' ARG . 26.2 m-85 -125.35 175.31 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 16.0 t0 -74.01 -28.15 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 19.6 m-20 -161.82 -175.51 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.574 ' NE2' ' H ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -75.76 48.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.0 p -118.55 -27.14 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.531 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 60.6 mtt180 55.76 36.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -120.37 -29.91 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.8 t -104.72 68.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.0 mt -46.06 92.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' SER . 32.0 mm-40 -51.53 -59.26 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -167.11 176.47 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -141.69 130.12 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.0 t -142.7 138.23 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.463 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.96 166.99 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.2 mmm -102.19 -69.99 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.679 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.8 1.71 4.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.9 t -121.05 -48.21 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -88.33 -44.86 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.0 t -85.96 138.72 31.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -119.89 -29.54 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -138.07 149.16 45.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -122.88 134.55 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -132.06 149.32 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.412 ' CG2' HD11 ' A' ' 82' ' ' LEU . 1.3 p -138.68 132.82 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.86 -133.74 31.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -50.73 -47.91 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -40.99 -40.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.467 ' HB3' ' NE2' ' A' ' 83' ' ' GLN . 3.6 m -56.37 169.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' CYS . 13.5 mtt180 -51.78 -174.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.33 41.23 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.9 pt -84.51 -174.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.92 144.11 27.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 154.67 67.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.0 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.48 140.08 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 61.2 41.05 99.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 8.6 mmmm -153.75 137.68 10.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.65 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -103.91 -34.55 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.28 -12.46 41.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.5 p -93.44 10.29 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.0 138.75 31.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.412 HD11 ' CG2' ' A' ' 63' ' ' THR . 6.9 tp -130.45 127.9 40.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.467 ' NE2' ' HB3' ' A' ' 67' ' ' CYS . 10.4 tt0 -122.79 153.3 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 mm -133.66 114.18 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.99 110.08 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 98.1 m -83.26 -177.4 6.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -79.71 -39.57 30.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' LYS . 7.0 t0 -88.89 53.26 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.46 26.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 88' ' ' ASP . 75.9 tttt -92.61 95.15 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.2 m -87.21 126.79 35.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.43 118.92 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m -88.47 119.34 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.4 ' CD2' ' HG3' ' A' ' 16' ' ' ARG . 41.8 mt -123.34 155.59 36.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 t -138.95 134.8 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.45 154.15 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.69 -50.7 72.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 t -137.59 151.0 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.6 m -38.76 -37.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -55.9 -51.02 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -57.45 -52.73 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.2 -53.67 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -55.1 -50.52 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.67 70.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.413 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 19.4 m95 -66.27 -49.51 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -53.61 -54.56 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -54.48 -46.06 73.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.7 m -61.24 -47.57 85.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.8 -43.56 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -75.23 -53.23 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.6 p -40.96 -31.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -48.06 -56.8 6.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 115' ' ' SER . 10.0 t -84.14 -33.82 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 114' ' ' THR . 5.2 m -95.33 112.6 24.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -167.4 -94.04 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.8 60.93 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.304 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.1 p -132.38 111.78 11.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.2 t -115.53 126.81 54.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -68.37 95.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -66.56 146.39 54.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.45 102.88 0.91 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -122.52 135.9 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -145.37 132.42 20.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.26 133.0 11.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -91.38 127.44 36.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.32 -58.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.2 tttp -147.99 143.59 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 p -135.24 131.55 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -163.41 169.69 38.56 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.49 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 78.0 m95 -81.62 135.98 35.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 32.7 mt -151.43 139.08 19.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.6 mt -81.2 154.58 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -142.72 126.4 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -86.23 106.56 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -84.1 165.68 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.3 p -82.98 -26.19 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.34 -58.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mp -67.22 -21.15 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 39.56 48.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -164.59 152.46 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -68.74 116.63 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -121.56 128.54 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.94 127.77 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -136.96 156.8 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.496 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 38.8 t-105 -103.13 130.06 50.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 50.2 m-85 -117.16 149.98 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -153.52 113.42 3.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -89.41 146.24 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -99.6 147.57 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -50.66 -33.93 24.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -70.71 -33.19 70.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.51 -23.05 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -57.67 139.05 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -116.87 129.72 56.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -137.64 128.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 1.0 OUTLIER -121.45 150.92 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -116.76 176.21 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.68 -37.71 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.82 -177.58 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.04 -28.7 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -42.72 -41.53 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 56.22 30.26 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -113.14 -30.25 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -102.63 79.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.28 120.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -78.01 -64.14 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 10.3 m-20 -160.81 153.61 21.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -123.18 140.41 53.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.5 t -157.68 148.41 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.468 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.41 167.16 12.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.4 mmm -103.79 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.77 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.0 t -121.47 -50.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.39 -53.47 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.09 122.49 18.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 pt -102.18 -29.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -142.77 159.07 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.8 mt -125.85 112.32 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -105.98 128.78 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.5 p -136.63 136.9 39.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.51 -137.58 19.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.437 ' H ' ' CD2' ' A' ' 65' ' ' HIS . 13.2 m-70 -55.04 -26.42 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.13 -41.61 62.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.469 ' CB ' HD12 ' A' ' 70' ' ' ILE . 19.7 m -52.12 160.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 69' ' ' ASP . 12.6 tpt180 -151.55 150.81 30.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 0.6 OUTLIER 64.13 28.56 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.469 HD12 ' CB ' ' A' ' 67' ' ' CYS . 4.5 pt -140.43 -176.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -167.22 137.2 2.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.59 68.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.48 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.55 109.05 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.84 8.69 20.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -130.56 140.92 40.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.81 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -94.36 -32.13 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.5 -9.82 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -93.58 12.08 26.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.88 123.66 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -119.76 135.96 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -133.6 146.89 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.1 mm -126.41 103.58 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -77.85 120.64 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.31 171.74 12.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.62 -61.59 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.15 -63.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 175.16 -30.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' GLY . 35.4 tttp -36.04 101.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -98.88 134.95 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt -110.01 120.11 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.41 120.61 33.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.5 mt -128.51 158.59 37.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 t -144.45 117.89 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.73 170.06 15.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -76.92 -34.12 57.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' ASP . 2.3 t -149.75 146.18 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 98' ' ' SER . 28.3 m -36.66 -48.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.95 -44.57 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' SER . 3.3 m-20 -65.12 -36.67 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.87 -39.26 83.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.427 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 35.8 mt -70.27 -42.24 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.53 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.484 ' CE2' ' HE3' ' A' ' 10' ' ' LYS . 28.2 m95 -65.47 -47.42 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -52.95 -58.07 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 15.2 m-30 -49.89 -48.04 51.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.3 m -58.46 -41.54 85.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.65 -43.55 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.54 -14.44 51.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.93 -42.71 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 p -56.47 -20.29 19.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 4.4 mtm105 -54.84 -68.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.6 t -74.99 -7.99 55.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -106.67 47.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.29 167.33 13.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.17 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.638 2.226 . . . . 0.0 112.342 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.7 m -148.38 168.11 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.3 p -63.76 -46.32 85.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -167.07 111.36 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -157.32 136.25 11.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.81 -133.71 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.413 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -82.52 41.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 m -57.41 101.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.49 132.87 51.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -89.73 135.63 33.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.96 -60.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -144.23 151.39 39.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 92.0 p -135.8 145.0 46.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.35 32.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.566 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 66.0 m95 -82.83 137.84 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.536 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 34.6 mt -151.58 143.62 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -90.86 139.33 30.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -124.37 133.2 53.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.6 110.03 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -82.18 157.11 24.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -81.71 -55.43 4.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.08 -57.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.3 -38.59 91.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 61.07 46.42 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -157.15 158.18 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -77.16 112.04 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -113.68 130.16 56.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 16.7 tttp -59.52 138.33 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -148.17 156.01 42.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 43.3 t-105 -95.69 113.65 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 49.5 m-85 -101.59 151.91 21.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -159.48 126.8 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 tp -95.13 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.493 ' CE2' HD13 ' A' ' 38' ' ' ILE . 10.9 m95 -100.54 163.96 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.7 p -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.81 16.21 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.55 -39.68 3.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -38.71 134.04 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.6 tp -119.82 129.68 54.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.493 HD13 ' CE2' ' A' ' 32' ' ' TRP . 64.7 mt -134.51 126.08 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 142.35 46.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.1 m-85 -110.76 155.14 22.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.477 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 3.1 t0 -46.91 -39.7 12.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -175.07 177.02 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 1.0 OUTLIER -37.79 -27.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' ASP . 52.6 p -40.14 -30.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 43.75 30.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -123.26 -30.98 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 94.63 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.463 ' CD1' ' CE2' ' A' ' 40' ' ' TYR . 38.2 mm -64.54 120.45 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 11.3 mm-40 -75.15 -56.77 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -175.07 165.67 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CE ' HD12 ' A' ' 38' ' ' ILE . 25.8 ttmt -129.76 139.86 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -152.85 139.75 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.93 166.95 15.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.641 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.8 mmm -104.95 -70.49 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.79 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 69.0 t -123.15 -47.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.24 -41.4 10.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.416 ' SG ' ' CG2' ' A' ' 84' ' ' ILE . 51.9 t -86.53 130.59 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -116.16 -24.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -146.14 153.32 40.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -126.78 113.05 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.463 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 69.6 mtt180 -100.1 118.11 35.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.0 p -140.95 137.31 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.12 -104.02 2.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -96.13 36.84 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 20.2 mt-10 -117.58 -38.56 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.8 p -87.26 125.12 34.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -130.39 -32.32 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.9 -5.6 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.459 HG21 ' NE2' ' A' ' 83' ' ' GLN . 12.1 pt -122.37 -175.39 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -153.86 137.39 10.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 148.19 64.79 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 74' ' ' ASP . 53.9 Cg_endo -69.75 131.27 20.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 27.7 t70 -36.35 112.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.06 -39.87 2.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -87.22 142.41 33.52 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -167.07 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -100.19 -38.68 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.46 -17.34 53.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -88.43 11.87 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.3 mt -91.64 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 tp -125.95 132.17 52.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.459 ' NE2' HG21 ' A' ' 70' ' ' ILE . 21.9 tt0 -135.75 137.21 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.416 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 20.5 mm -116.73 101.31 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.12 108.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.45 155.41 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 40.9 mtt180 -51.07 178.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.5 t70 54.63 45.58 26.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 48.11 34.8 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -98.8 158.42 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.0 m -158.16 138.91 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.73 130.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -95.96 123.38 39.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.467 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 19.2 mt -136.47 156.26 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 8.9 t -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 152.79 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -48.56 -48.05 38.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 t -148.53 164.66 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -40.31 -50.69 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -51.76 -54.63 26.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -44.95 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 39.9 t -59.25 -62.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 17.0 mt -44.75 -56.06 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.66 -59.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -58.72 -44.92 90.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -53.08 -52.47 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 26.6 m-85 -52.21 -52.39 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -58.66 -48.26 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.9 mt -58.51 -44.89 89.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -60.44 -18.72 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.499 ' O ' ' CG2' ' A' ' 114' ' ' THR . 21.2 t0 -94.31 -53.92 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.9 p -48.35 -38.35 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 115' ' ' SER . 9.3 ptm180 -66.43 -27.3 67.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 111' ' ' ASP . 13.3 t -34.23 -35.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 113' ' ' ARG . 7.9 t 44.37 48.6 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.04 -163.48 36.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.417 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 127.63 14.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.4 t -82.22 -50.07 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.4 p -124.7 153.62 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -166.72 160.56 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -148.64 173.55 13.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.46 124.14 2.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -90.29 147.84 23.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -116.68 -53.51 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.86 105.92 2.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -85.4 134.03 34.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -55.77 -58.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -142.34 136.86 30.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.445 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 73.3 p -129.2 128.79 44.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.61 175.23 37.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.445 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 72.1 m95 -92.46 131.2 37.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 HD12 ' CE2' ' A' ' 105' ' ' TRP . 24.8 mt -148.42 147.75 29.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mt -83.4 155.74 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -145.78 126.77 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.79 108.06 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.17 173.23 11.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 p -109.61 0.99 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -112.48 -39.21 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -99.98 -7.35 25.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 39.46 48.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.4 148.64 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -68.55 111.73 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -114.51 129.2 56.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 5.9 ttpp -60.54 129.87 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.445 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 64.1 t-105 -112.21 111.65 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.538 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 65.0 m-85 -99.02 155.61 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -156.78 112.66 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -88.71 139.83 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.423 ' CZ2' HD11 ' A' ' 38' ' ' ILE . 11.5 m95 -93.5 175.03 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -76.77 -29.13 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.03 -2.89 56.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.59 -24.55 28.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.435 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -56.08 135.1 53.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.7 tp -118.01 130.34 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.423 HD11 ' CZ2' ' A' ' 32' ' ' TRP . 21.0 mt -133.03 127.32 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -114.48 155.75 25.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 32.6 m-85 -123.64 172.1 9.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.42 -46.5 48.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -139.62 179.8 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -59.85 -28.73 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 p -56.77 -21.07 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.429 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 55.1 mtm180 47.22 43.14 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.37 -23.07 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.25 93.35 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.2 mt -60.01 108.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.99 -60.49 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.538 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -171.67 164.32 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -126.84 135.35 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.4 t -151.04 140.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.478 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.7 167.65 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.632 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -104.3 -70.62 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.478 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 24.4 t -122.05 -45.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.0 OUTLIER -94.3 -42.3 8.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 84' ' ' ILE . 27.6 t -85.65 133.3 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.06 -25.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -147.73 157.66 43.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mt -129.67 110.81 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -95.41 127.21 41.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.2 p -140.73 150.04 42.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.29 -114.86 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -80.47 -24.43 39.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -47.09 -50.38 20.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.1 p -74.41 117.38 16.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -126.59 -9.2 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -89.16 -5.86 57.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.6 pt -120.88 -179.67 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -142.43 137.37 15.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.6 65.5 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.353 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.06 141.58 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.8 47.94 51.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -150.02 122.83 4.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.99 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -97.97 -26.34 14.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -19.05 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 28.0 p -96.03 15.69 19.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.73 132.51 44.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.1 tp -131.01 137.93 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG2' ' CG2' ' A' ' 91' ' ' THR . 7.9 tt0 -134.9 163.82 28.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 6.6 mm -141.32 111.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.0 124.5 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 30.1 m -89.23 174.57 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.0 -64.36 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -61.86 -48.43 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 161.85 -30.57 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' GLY . 65.8 tttt -34.34 103.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.413 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 88.2 m -101.59 134.83 44.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.5 mt -107.35 123.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 m -94.48 122.95 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.538 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 56.9 mt -131.29 163.37 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 t -146.57 138.55 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.79 165.62 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -69.09 -44.21 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' ASP . 64.6 m -147.24 153.81 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 98' ' ' SER . 5.2 m -36.86 -39.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.27 -48.47 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' SER . 3.6 t70 -60.62 -42.21 96.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.6 t -63.87 -48.99 74.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 11.3 mt -58.28 -46.49 85.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.89 -53.52 51.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.465 ' CE2' HD12 ' A' ' 14' ' ' LEU . 32.2 m95 -60.77 -57.16 13.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -43.75 -47.4 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.0 m-85 -63.2 -49.09 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 m -58.27 -36.43 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.44 -43.01 61.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.44 -22.17 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -86.11 -41.48 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.4 p -58.94 -13.44 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.68 -59.06 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.6 t -84.86 6.88 22.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -111.38 104.87 13.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 151.38 -92.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 142.81 49.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -115.63 143.76 44.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -64.12 -50.42 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.439 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -51.35 121.72 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -66.68 139.73 57.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.08 159.36 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -86.62 176.06 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -99.99 99.32 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.96 130.82 10.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.495 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 13.6 m-85 -95.35 134.32 38.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -52.26 -61.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -135.16 148.46 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.0 p -144.4 133.89 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.25 162.98 36.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.42 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 50.2 m95 -78.42 130.49 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 105' ' ' TRP . 39.6 mt -150.21 149.43 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.402 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 5.8 mt -89.27 154.92 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttp85 -141.72 129.63 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -91.55 106.76 18.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 177.6 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -98.83 -14.67 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.67 -37.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' CD1' ' N ' ' A' ' 21' ' ' LEU . 5.7 mp -86.46 -14.58 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt 38.62 48.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -165.24 165.3 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CZ3' ' O ' ' A' ' 93' ' ' SER . 94.6 m95 -81.37 119.67 23.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -121.46 134.93 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -69.2 135.54 50.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -144.89 171.6 14.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CD1' ' OD2' ' A' ' 30' ' ' ASP . 69.5 t-105 -110.05 120.89 43.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CZ ' ' CD2' ' A' ' 94' ' ' LEU . 34.8 m-85 -106.46 150.01 26.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 57.2 m-20 -152.63 115.31 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -86.59 144.25 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -97.82 166.81 11.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -70.1 -28.18 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.09 2.18 44.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 -21.83 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -56.44 134.22 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -117.19 129.72 56.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.08 127.81 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -115.41 151.39 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 48' ' ' ILE . 41.9 m-85 -112.98 173.91 6.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 25.4 t70 -66.15 -38.68 88.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 57.1 m-20 -165.08 -178.74 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -41.42 -28.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.5 p -42.87 -35.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 48.18 27.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -116.39 -32.49 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -99.77 77.14 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.476 HG12 ' CE2' ' A' ' 40' ' ' TYR . 66.2 mt -49.21 124.83 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.07 -60.48 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -155.39 178.83 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -144.74 133.8 22.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 t -152.73 140.56 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.461 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.93 166.77 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.1 mmm -102.67 -69.85 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.3 Cg_endo -69.81 3.7 2.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -121.52 -52.87 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.48 -54.86 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.6 t -67.55 112.16 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.0 pt -90.62 -31.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -145.59 157.31 43.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.441 ' CD1' ' HE3' ' A' ' 54' ' ' MET . 59.2 mt -127.76 116.07 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -111.81 140.64 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.1 p -129.91 145.25 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.48 -129.42 49.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -57.16 -42.87 81.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.76 -47.69 4.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.466 ' HB3' ' NE2' ' A' ' 83' ' ' GLN . 4.3 m -51.51 171.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -54.41 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.28 41.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 71' ' ' GLN . 2.3 pt -84.61 -174.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.43 ' N ' HG13 ' A' ' 70' ' ' ILE . 2.0 pm0 -144.3 142.22 19.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.52 63.21 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.49 21.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.25 111.02 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.44 2.8 22.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -138.93 136.07 18.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.67 -19.78 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -28.88 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -88.1 21.38 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 mt -94.22 137.38 33.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 109' ' ' LEU . 4.3 tp -136.99 121.83 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.466 ' NE2' ' HB3' ' A' ' 67' ' ' CYS . 10.5 tt0 -120.95 144.08 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mm -119.26 101.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.8 t -73.12 111.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 88' ' ' ASP . 1.8 m -72.83 -174.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ASP . 59.8 mtp85 -62.61 74.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' CYS . 0.4 OUTLIER 33.36 53.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.15 -37.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -137.05 173.58 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.2 m -160.09 132.58 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.8 mt -108.89 131.23 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 24' ' ' TRP . 7.9 m -105.23 99.01 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.481 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.5 mt -101.56 154.93 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -138.37 115.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.0 163.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.28 -42.79 87.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -147.28 166.79 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -52.15 -34.63 45.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -46.06 91.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -63.47 -52.35 61.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.5 t -49.95 -53.51 25.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 14.8 mt -53.12 -45.25 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.45 -52.95 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.443 ' CD1' HD13 ' A' ' 14' ' ' LEU . 30.9 m95 -60.0 -47.38 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -57.17 -47.41 81.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.0 m-85 -59.28 -42.14 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.7 m -64.95 -51.84 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CD1' HD23 ' A' ' 82' ' ' LEU . 20.1 mt -57.83 -44.61 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.445 ' NE2' ' HD3' ' A' ' 113' ' ' ARG . 12.9 mm-40 -68.68 -19.6 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.32 -25.09 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 p -84.18 -27.28 28.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' HD3' ' NE2' ' A' ' 110' ' ' GLN . 1.2 ptm85 -74.43 -34.68 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.0 t -104.92 46.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 55.1 p -109.24 130.24 55.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -167.2 -177.26 38.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 98.85 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.6 m -136.81 135.0 37.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -114.58 137.71 51.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.479 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -173.63 127.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -136.77 144.8 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.32 140.75 3.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.7 p -40.64 161.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -106.51 136.25 46.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.06 133.9 11.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -77.99 132.13 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.7 -61.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 35.5 tttp -141.32 143.14 33.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -132.08 134.53 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.803 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.68 169.86 40.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 52.9 m95 -87.78 131.32 34.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 105' ' ' TRP . 32.2 mt -146.21 141.45 27.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mt -82.56 153.55 25.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' NH1' ' OD1' ' A' ' 27' ' ' ASN . 10.5 ttp-105 -141.35 125.21 17.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -83.04 100.2 10.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -67.28 164.68 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 p -85.31 -42.53 14.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.42 -47.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 mt -77.28 -29.26 53.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 52.15 41.41 30.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -147.43 155.29 41.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -76.72 108.13 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -111.27 138.9 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 23.9 tttt -67.51 134.07 50.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' NH1' ' A' ' 16' ' ' ARG . 33.8 m120 -141.92 160.96 39.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.426 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 55.0 t-105 -106.38 113.3 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 74.5 m-85 -100.93 160.33 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 7.7 m-20 -162.84 116.01 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -86.95 143.74 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -97.12 163.96 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.0 p -66.15 -32.08 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.07 -15.38 59.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.44 -35.37 4.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -46.84 136.87 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.4 tp -116.81 130.07 56.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 39' ' ' TYR . 28.2 mt -133.91 147.11 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -136.29 156.81 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 80.5 m-85 -119.82 163.78 16.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.81 -30.53 69.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -155.01 -179.4 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -63.17 -23.26 67.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p -64.08 -20.86 66.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.485 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 85.7 mtt180 47.43 34.12 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.96 -23.08 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -129.83 105.91 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.8 mt -66.23 105.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.25 -58.24 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 16.9 t70 -170.72 168.82 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -135.59 132.83 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.61 150.6 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.471 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -94.43 167.43 11.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 25.4 mmm -103.61 -70.19 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.556 0.694 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.3 Cg_endo -69.71 2.51 3.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 8.9 t -121.05 -49.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.71 -55.54 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.419 ' SG ' ' CG2' ' A' ' 84' ' ' ILE . 36.6 t -66.65 117.47 8.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.42 HG12 ' C ' ' A' ' 86' ' ' CYS . 12.4 pt -101.93 -27.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -138.73 159.25 42.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.9 mt -133.89 115.19 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.428 ' NE ' ' OE1' ' A' ' 83' ' ' GLN . 17.5 mtm180 -103.22 118.64 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.9 p -145.02 131.29 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.87 95.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 47.39 26.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -108.23 -38.81 5.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.473 ' CB ' HD11 ' A' ' 70' ' ' ILE . 4.2 m -54.14 179.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 69' ' ' ASP . 21.0 ttt85 -163.41 153.96 16.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.4 m-20 64.11 25.03 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 67' ' ' CYS . 16.2 pt -140.25 179.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -154.68 136.97 9.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 145.95 59.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.372 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -178.71 2.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.45 126.18 31.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 10.46 61.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -135.46 132.07 19.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -102.12 -9.69 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -25.39 40.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.8 p -84.83 11.43 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.47 130.68 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.1 tp -128.77 118.15 22.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.428 ' OE1' ' NE ' ' A' ' 62' ' ' ARG . 16.2 tt0 -120.95 153.94 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.419 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 13.5 mm -137.33 108.93 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.9 t -93.83 131.89 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.42 ' C ' HG12 ' A' ' 59' ' ' ILE . 1.3 p -89.9 -177.47 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -59.03 -70.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -43.97 -67.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 178.82 -26.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' GLY . 15.1 tttp -33.8 142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.408 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 37.6 m -139.46 131.86 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.2 mt -107.51 117.08 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.36 113.59 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.56 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -120.99 158.04 28.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.2 t -143.43 132.57 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.61 159.43 14.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.89 -41.0 90.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' THR . 8.3 t -152.26 157.42 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' SER . 3.7 m -36.73 -46.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.35 -50.5 62.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.14 -42.74 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.544 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 17.9 mt -60.81 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -43.77 -54.81 4.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.455 ' CD1' HD13 ' A' ' 14' ' ' LEU . 29.8 m95 -59.45 -51.62 69.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -49.81 -60.19 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.544 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 29.8 m-85 -48.76 -48.81 40.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -55.75 -45.9 77.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.2 -59.27 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.47 ' OE1' ' CZ ' ' A' ' 113' ' ' ARG . 23.2 mm-40 -49.41 -30.88 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -79.77 -43.6 22.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -56.59 -31.52 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CZ ' ' OE1' ' A' ' 110' ' ' GLN . 71.8 mtm180 -43.2 -44.53 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.2 p -56.5 -54.11 49.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -39.82 100.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.07 -93.89 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.92 2.38 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.737 2.292 . . . . 0.0 112.347 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.7 m -127.07 157.17 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 t -136.71 119.38 16.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.44 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 p -50.39 164.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -124.85 133.98 52.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.77 92.01 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -55.01 -45.21 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -164.5 156.58 16.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.43 142.09 17.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -92.83 137.34 32.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.57 -58.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -139.59 132.13 28.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.436 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 88.0 p -126.67 132.45 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.79 165.71 38.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.411 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 88.2 m95 -82.54 139.54 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 16.6 mt -154.14 149.95 27.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 5.3 mt -90.87 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -126.87 134.47 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -92.01 102.32 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -80.3 174.49 11.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -90.84 -45.82 8.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 mm -64.48 -57.74 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.19 -38.46 75.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp 59.56 41.05 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -148.51 164.37 34.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -80.13 102.65 9.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -104.58 134.76 47.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 5.5 tptp -68.19 132.62 47.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -140.97 173.69 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.436 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 56.0 t-105 -114.87 112.81 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 80.2 m-85 -98.26 150.48 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -154.08 112.26 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.12 144.11 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -97.87 167.07 11.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -71.18 -28.19 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -83.92 -2.42 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 -28.06 16.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -53.94 135.76 42.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.3 tp -118.24 129.77 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.4 mt -136.08 126.27 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -113.2 162.02 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -128.04 179.85 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 -40.12 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -155.47 -177.81 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -52.78 -32.43 43.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -46.08 -37.48 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 58.85 34.82 23.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -100.88 -28.19 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -110.89 103.06 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.42 97.64 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -48.49 -59.53 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -168.45 -178.46 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -142.45 136.57 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.404 HG11 ' CB ' ' A' ' 57' ' ' ASP . 23.0 t -152.71 138.41 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -84.25 167.2 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.638 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.4 mmm -102.34 -70.33 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.78 2.45 3.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 8.0 t -121.91 -47.89 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' CB ' HG11 ' A' ' 52' ' ' VAL . 2.3 t70 -88.45 -50.22 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.1 t -76.76 117.38 18.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 pt -93.52 -25.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -151.76 165.49 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.0 mt -133.61 130.84 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' HD2' ' CG2' ' A' ' 85' ' ' VAL . 11.4 mtp180 -122.71 150.88 42.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.6 p -145.01 147.57 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.16 -124.66 17.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.401 ' CE1' ' HG2' ' A' ' 78' ' ' ARG . 99.0 m-70 -80.0 -25.05 40.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -51.79 -39.58 58.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.4 m -55.3 177.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.28 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -82.72 35.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 71' ' ' GLN . 2.7 pt -77.41 -174.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.459 ' N ' HG13 ' A' ' 70' ' ' ILE . 19.1 pt20 -141.08 137.65 17.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HD3' ' NH1' ' A' ' 78' ' ' ARG . 54.1 Cg_endo -69.78 155.32 66.15 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.631 2.221 . . . . 0.0 112.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -40.05 128.08 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.1 -30.72 9.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -98.06 143.74 26.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -166.14 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' NH1' ' HD3' ' A' ' 72' ' ' PRO . 13.6 tpp180 -99.68 -42.81 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.62 -12.84 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.17 9.97 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.55 142.93 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 tp -137.59 134.66 35.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -133.59 135.81 44.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.1 mm -112.4 107.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.406 ' CG2' ' HD2' ' A' ' 62' ' ' ARG . 61.6 t -75.46 114.63 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.64 153.72 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -58.18 179.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.05 34.58 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 53.07 34.38 46.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -108.86 145.59 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.429 ' N ' ' HD2' ' A' ' 90' ' ' LYS . 89.1 m -141.41 154.41 45.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.92 117.67 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -83.94 123.26 29.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.563 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 42.7 mt -131.55 156.06 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 47.1 t -141.39 132.02 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.22 153.54 17.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -52.3 -53.98 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.0 p -140.13 162.93 34.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -43.71 -46.03 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -54.32 -46.1 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.28 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.02 -49.36 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.15 -45.26 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -57.0 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -55.0 -46.68 75.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -56.81 -51.36 69.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -55.53 -43.8 76.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.9 m -66.68 -44.3 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.9 mt -61.3 -49.13 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -48.51 -49.48 35.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 113' ' ' ARG . 4.0 t70 -61.25 -57.69 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.6 m -35.28 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 115' ' ' SER . 75.0 mtp180 -55.64 -56.65 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' ARG . 10.1 t 34.07 33.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' ARG . 32.2 p -105.95 124.38 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.84 177.49 24.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.29 20.86 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -75.27 151.13 38.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.8 m -99.07 -51.44 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -131.81 104.14 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 t -172.54 125.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.92 -75.45 0.41 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -97.63 133.87 41.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 p -52.69 117.6 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 8' ' ' PHE . . . -74.51 77.81 1.04 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 7' ' ' GLY . 13.0 m-85 -34.48 132.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -49.14 -61.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -141.12 139.43 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . 84.8 p -133.84 129.82 37.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.96 175.87 35.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.409 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 32.9 m95 -91.94 127.95 37.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 105' ' ' TRP . 32.2 mt -144.78 152.19 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.77 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -137.92 116.8 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -84.39 113.7 21.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -96.52 156.9 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -82.22 -20.82 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.57 -44.52 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -85.81 -16.97 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 40.01 52.14 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -164.33 159.63 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.501 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 96.6 m95 -85.1 111.49 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -113.91 132.65 55.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 133.33 56.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -139.93 155.63 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.415 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 70.1 t-105 -105.17 112.47 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CZ ' ' CD2' ' A' ' 94' ' ' LEU . 87.5 m-85 -101.52 156.03 17.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.5 m-20 -157.74 115.61 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 tp -86.27 141.24 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -95.99 168.45 10.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -73.37 -24.44 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.38 -2.78 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.05 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 7.8 m80 -48.67 134.74 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -118.4 129.7 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -131.99 134.44 59.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -123.84 150.67 44.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -114.7 170.6 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.2 -37.18 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -147.15 172.01 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -18.11 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -67.95 -20.17 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 52.55 30.7 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -90.21 -35.09 15.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -108.69 96.58 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.59 102.11 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.84 -60.66 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 21.3 t70 -171.8 176.7 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -141.07 133.05 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.3 t -150.33 140.72 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -84.16 167.23 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.1 mmm -102.85 -70.16 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.71 2.69 3.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.1 t -121.85 -48.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.9 -49.96 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 84' ' ' ILE . 53.7 t -73.02 117.52 14.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.0 pt -99.13 -29.71 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -138.7 165.73 26.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.4 mt -136.35 109.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -102.2 143.94 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.7 p -140.76 131.35 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -125.37 12.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.589 ' CE1' ' NE ' ' A' ' 78' ' ' ARG . 33.3 m-70 -60.23 -48.84 80.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -41.75 -41.81 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.8 m -49.32 168.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -52.2 -174.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.55 42.25 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 71' ' ' GLN . 2.1 pt -88.47 -174.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 70' ' ' ILE . 32.1 mt-30 -147.92 142.43 16.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 156.31 63.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -166.1 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.59 138.94 31.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.89 33.96 87.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -147.46 134.87 10.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 65' ' ' HIS . 15.5 ttp180 -104.26 -28.0 11.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.0 -16.32 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.04 10.52 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.7 mt -86.47 141.7 28.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 tp -139.19 117.81 12.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.411 ' HG2' ' CG2' ' A' ' 91' ' ' THR . 16.0 tt0 -118.03 147.19 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.4 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 13.1 mm -126.78 119.12 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 t -98.34 133.5 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.614 ' HG ' ' N ' ' A' ' 90' ' ' LYS . 1.3 p -92.8 -179.53 5.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -57.09 -73.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -45.19 -70.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.38 -28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.614 ' N ' ' HG ' ' A' ' 86' ' ' CYS . 32.4 tttt -33.78 128.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.411 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 89.9 m -124.97 130.53 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.7 mt -104.57 125.86 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 m -97.99 113.29 25.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.603 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -118.71 157.4 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 36.7 t -139.23 133.21 31.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.74 161.8 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.22 -38.17 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' ASP . 49.4 m -156.21 154.59 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.0 m -38.68 -45.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -54.27 -44.04 71.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.1 t70 -63.97 -53.76 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 53.1 t -51.18 -54.35 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.8 mt -48.5 -43.1 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -52.54 64.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.413 ' CD1' HD11 ' A' ' 14' ' ' LEU . 29.8 m95 -59.19 -46.88 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -55.53 -61.85 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 26.4 m-85 -45.97 -40.35 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -64.65 -49.76 69.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.98 -44.06 97.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.68 -22.15 56.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -94.99 -38.36 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.8 p -63.47 -19.51 64.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.88 -27.67 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.429 ' O ' ' CG2' ' A' ' 114' ' ' THR . 10.5 t -112.81 48.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.5 m -110.75 49.1 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.57 -158.19 34.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 2.56 3.43 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.731 2.288 . . . . 0.0 112.362 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' SER . 57.4 p -42.1 137.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' SER . 41.8 m -38.01 138.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.533 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -52.31 -44.44 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -70.96 144.94 50.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.83 120.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -93.78 105.69 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.825 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 p -72.67 102.81 3.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.49 155.27 28.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -93.4 137.61 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -53.4 -60.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -139.79 144.87 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.427 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 13.0 p -138.2 131.23 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -162.33 166.8 36.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.556 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 79.1 m95 -83.66 126.33 32.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD22 ' CD1' ' A' ' 105' ' ' TRP . 19.0 mt -139.07 144.83 38.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mt -93.67 122.28 35.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 19.6 ttp-105 -110.77 125.67 53.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -69.99 112.7 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -88.54 132.97 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.3 t -72.75 -19.95 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.66 -41.24 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt -93.88 -7.08 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp 39.18 53.16 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -170.4 148.28 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 83.3 m95 -66.86 121.9 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -122.43 131.19 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.556 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 10.1 ttpt -58.88 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' CB ' HH12 ' A' ' 16' ' ' ARG . 30.8 m120 -141.84 171.59 13.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.427 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 45.1 t-105 -116.66 114.12 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 41.2 m-85 -99.38 148.77 23.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -151.01 115.3 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -89.01 145.45 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -99.43 168.23 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -70.26 -32.78 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.67 1.94 31.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 -31.59 8.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -46.98 134.49 10.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mt -136.82 127.34 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 1.5 p90 -116.37 147.94 41.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.496 ' CG ' ' HA ' ' A' ' 45' ' ' ARG . 72.2 m-85 -110.56 174.85 5.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 12.1 t70 -73.27 -31.77 64.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-20 -163.0 -174.98 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -55.84 -13.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -57.39 -23.64 50.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.496 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 50.2 mtt180 39.19 36.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -122.11 -32.1 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -95.97 79.2 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -49.71 101.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 18.1 mm-40 -62.33 -49.03 77.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 5.2 t70 -172.86 176.28 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -144.95 140.28 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.454 HG12 ' CB ' ' A' ' 57' ' ' ASP . 18.5 t -158.56 135.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -80.64 166.83 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.0 mmm -101.68 -70.26 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.74 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 4.1 t -122.3 -48.5 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' CB ' HG12 ' A' ' 52' ' ' VAL . 3.4 t0 -87.52 -50.15 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.9 149.61 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 pt -125.72 -33.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -142.12 147.47 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' CD1' ' HE1' ' A' ' 54' ' ' MET . 62.0 mt -118.56 126.95 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.493 ' NH1' ' CG2' ' A' ' 85' ' ' VAL . 7.8 mtt85 -115.32 153.19 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.6 p -145.38 133.73 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.51 -134.58 26.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -55.87 -41.41 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -46.73 -39.47 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.9 m -54.93 168.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -51.78 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.46 44.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.6 pt -88.66 -174.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -146.81 141.14 15.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 148.89 65.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.7 153.22 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.78 23.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -141.24 129.0 12.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -173.01 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.353 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -109.79 19.67 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -113.25 -15.01 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.89 7.64 45.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.59 145.9 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 tp -139.42 125.65 20.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.433 ' CD ' ' CG2' ' A' ' 91' ' ' THR . 10.8 tt0 -123.49 151.37 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 mm -125.84 108.51 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.493 ' CG2' ' NH1' ' A' ' 62' ' ' ARG . 58.1 t -78.68 112.93 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.5 164.68 21.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -53.72 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.05 31.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -91.31 102.71 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.433 ' CG2' ' CD ' ' A' ' 83' ' ' GLN . 25.4 m -94.14 119.24 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.5 mt -105.69 116.85 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.1 m -85.71 120.98 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.405 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 40.9 mt -123.73 157.89 32.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 4.9 t -137.26 138.98 40.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' GLU . . . -106.62 145.62 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -38.35 -53.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -142.49 179.48 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -55.17 -50.84 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.93 -46.83 61.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.86 -53.29 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 47.4 t -53.74 -58.24 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.1 mt -47.61 -43.96 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.81 -49.81 75.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.479 ' CD1' HD22 ' A' ' 14' ' ' LEU . 18.3 m95 -60.56 -52.45 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -51.1 -57.81 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -52.02 -45.6 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.7 m -57.56 -55.48 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.45 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 20.4 mt -54.62 -49.54 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -50.92 -32.29 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -81.37 -49.47 10.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.0 p -49.46 -28.68 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 15.3 mtp-105 -46.82 -29.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.0 p -81.36 47.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.4 m -124.34 140.28 53.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.05 135.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 90.9 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.4 m -146.61 125.08 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 62.4 p -59.48 135.86 57.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -45.46 111.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m 50.37 42.05 25.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.79 -173.15 31.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -58.29 100.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 48.31 42.35 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.68 143.58 1.32 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -90.45 130.52 36.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.1 t -47.66 -60.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -141.02 146.78 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.1 p -139.11 132.0 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.806 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.42 171.14 39.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.464 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 60.0 m95 -87.28 127.35 35.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 23.1 mt -143.91 148.02 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -91.03 146.39 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -134.66 136.03 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -87.42 111.43 21.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.3 t -86.1 153.77 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -76.96 -32.76 57.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -78.88 -58.92 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.24 -26.37 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mttp 49.89 49.89 19.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -164.39 154.74 14.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -73.92 116.42 14.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -123.12 125.05 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -42.9 134.3 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.79 155.68 44.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -104.82 111.85 24.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 77.3 m-85 -99.18 152.03 20.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -153.95 112.19 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -84.84 140.17 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -94.15 169.66 10.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -71.91 -29.79 64.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -5.36 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.23 -30.47 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -52.1 136.39 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.1 tp -117.85 130.49 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.8 mt -135.53 129.82 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.7 152.81 33.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.98 176.14 5.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -77.36 -41.1 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 p30 -144.9 -177.21 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -65.97 -14.92 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -71.55 -15.99 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 46.06 41.48 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -102.31 -19.18 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -125.52 98.54 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -67.6 103.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -51.69 -56.79 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 14.6 t70 -173.17 174.71 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.61 135.49 40.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.43 143.36 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.473 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.29 167.53 14.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.64 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.5 mmm -106.39 -70.21 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.552 0.691 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.83 3.46 2.79 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 41.6 t -120.57 -49.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.94 -47.02 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.4 t -78.55 119.9 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.6 pt -100.85 -31.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -143.45 171.41 14.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -137.19 106.27 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.405 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 18.5 mtt85 -93.05 119.61 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.2 p -136.52 138.67 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 -115.21 4.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.57 35.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 25.6 mt-10 -105.59 -44.43 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' CB ' ' NE2' ' A' ' 83' ' ' GLN . 5.0 p -80.0 102.71 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.19 -6.44 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -97.12 3.96 51.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.463 HG23 ' NE2' ' A' ' 83' ' ' GLN . 1.9 pt -128.06 169.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -132.78 137.67 30.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 145.59 57.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.484 ' CG ' ' SG ' ' A' ' 95' ' ' CYS . 53.4 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -45.58 119.4 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.92 38.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -133.3 143.61 48.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.58 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -104.57 5.37 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -97.94 -9.92 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -99.23 2.82 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.19 130.94 41.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.02 117.98 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.463 ' NE2' HG23 ' A' ' 70' ' ' ILE . 8.9 tt0 -118.89 131.38 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.5 mm -103.18 90.55 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.74 109.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ARG . 12.1 m -92.03 170.56 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' ASP . 29.6 mtm180 -35.88 136.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' ARG . 2.4 t0 -34.39 100.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.4 22.25 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -174.4 143.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.1 m -157.98 132.77 8.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.9 mt -104.38 138.72 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.13 120.44 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.549 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 33.9 mt -125.5 155.15 41.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.484 ' SG ' ' CG ' ' A' ' 73' ' ' PRO . 50.0 t -140.09 113.42 8.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.16 153.4 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -54.38 -59.21 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -129.81 155.56 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.3 m -39.97 -49.87 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -52.79 -46.23 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.35 -44.15 88.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t -62.65 -55.16 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 12.0 mt -51.13 -38.92 54.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.63 -50.97 71.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.415 ' CD1' HD13 ' A' ' 14' ' ' LEU . 40.4 m95 -64.19 -54.24 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -42.81 -51.33 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.4 m-85 -53.13 -54.41 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 59.4 m -54.84 -51.31 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.5 mt -54.87 -44.17 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -59.98 -41.82 92.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -79.85 -19.84 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.3 p -78.76 -31.68 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 -80.18 -32.49 38.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.79 -25.22 40.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 t -85.4 104.48 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.89 -86.84 1.93 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -14.46 36.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 t -69.74 111.56 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.3 t -54.99 -55.15 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.26 -56.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -145.8 121.08 10.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 62.5 p -115.78 131.66 56.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.439 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.78 179.8 39.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.847 ' O ' HD23 ' A' ' 14' ' ' LEU . 68.7 m95 -97.1 137.2 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 13' ' ' TRP . 37.3 mt -150.2 146.89 27.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD12 ' HB3' ' A' ' 95' ' ' CYS . 6.2 mt -80.96 154.69 26.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -144.54 124.18 13.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.51 103.71 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 t -76.42 160.92 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.6 m -85.1 -20.79 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.94 -36.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.7 mt -89.78 -12.28 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.2 mttt 36.11 42.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -156.14 167.03 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -83.4 124.15 30.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -126.2 128.33 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 121.7 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -126.46 176.8 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 69.8 t-105 -118.35 110.38 17.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 36.9 m-85 -98.93 156.55 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 5.7 m-20 -159.07 112.57 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 tp -87.18 138.31 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.427 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.0 m0 -91.37 172.01 8.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -73.08 -28.28 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.07 5.46 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.75 -36.91 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -43.65 137.52 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.7 tp -120.74 130.78 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.427 HD12 ' CE2' ' A' ' 32' ' ' TRP . 47.1 mt -136.67 132.98 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -119.11 149.76 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 50.9 m-85 -113.77 -179.42 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.53 -35.67 34.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.49 179.78 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -55.71 -21.3 17.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.9 p -61.03 -30.93 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.494 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 19.6 mtm180 57.32 38.83 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -103.81 -39.49 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -97.39 82.07 3.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.67 95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.99 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -166.5 177.36 6.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -139.47 132.52 29.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 57' ' ' ASP . 21.6 t -147.26 148.59 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.9 166.49 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.721 ' SD ' HD22 ' A' ' 109' ' ' LEU . 25.9 mmm -101.45 -69.9 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.79 3.27 2.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -122.19 -50.38 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.467 ' CB ' HG13 ' A' ' 52' ' ' VAL . 2.8 t70 -85.59 -45.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.653 ' SG ' HG23 ' A' ' 84' ' ' ILE . 18.7 t -86.24 132.72 33.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 87' ' ' ARG . 28.5 pt -110.39 -34.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -134.87 155.33 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.583 HD11 ' HE1' ' A' ' 54' ' ' MET . 35.4 mt -129.82 114.3 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -110.54 147.45 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.75 HG22 HD12 ' A' ' 82' ' ' LEU . 47.5 p -140.69 131.35 25.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.32 -140.74 21.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 71.7 m80 -59.86 -26.05 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 121.657 0.742 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.29 57.48 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -174.85 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.4 147.11 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.37 40.97 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -149.91 137.56 11.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -164.6 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.579 ' HD3' ' CD2' ' A' ' 65' ' ' HIS . 13.6 ttt180 -112.82 -31.02 6.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -22.03 66.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.47 6.74 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.88 143.61 28.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.75 HD12 HG22 ' A' ' 63' ' ' THR . 5.4 tp -139.84 118.44 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.472 ' O ' HD13 ' A' ' 84' ' ' ILE . 13.4 tt0 -115.49 156.09 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.653 HG23 ' SG ' ' A' ' 58' ' ' CYS . 18.6 mm -131.03 108.07 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.8 t -81.5 111.1 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.21 171.84 14.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 59' ' ' ILE . 62.2 mtp180 -61.77 -73.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -44.6 -57.67 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.6 -26.49 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -38.17 132.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.4 m -128.69 123.22 32.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.2 mt -105.09 124.39 59.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 m -97.94 117.8 33.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -119.45 162.66 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.551 ' HB3' HD12 ' A' ' 15' ' ' LEU . 49.0 t -146.59 130.9 17.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.857 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -94.86 160.02 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -55.57 -43.45 75.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -152.86 159.58 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -40.05 -42.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -55.89 19.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.857 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.2 t70 -57.15 -45.49 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 54.0 t -57.78 -55.03 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -49.94 -49.28 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.54 -53.69 42.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.739 ' CE2' HD11 ' A' ' 14' ' ' LEU . 36.2 m95 -58.25 -58.61 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.438 ' HD2' HG21 ' A' ' 63' ' ' THR . 42.4 tttt -43.71 -56.97 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -56.61 -43.45 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m -56.86 -41.64 78.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.721 HD22 ' SD ' ' A' ' 54' ' ' MET . 11.3 mt -68.65 -52.68 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.559 HE22 ' NH2' ' A' ' 113' ' ' ARG . 6.4 mm100 -52.07 -19.82 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.87 -45.3 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.9 p -62.62 -11.68 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.559 ' NH2' HE22 ' A' ' 110' ' ' GLN . 51.2 mtm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -49.28 -59.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -144.6 142.45 30.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -138.02 136.31 36.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.58 165.28 37.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -77.92 125.46 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.774 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.3 mt -141.99 148.58 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -88.54 151.78 22.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NH1' ' CZ ' ' A' ' 39' ' ' TYR . 47.4 ttt180 -142.24 116.53 9.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.68 106.82 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 p -68.27 164.74 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -96.57 -18.58 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 21' ' ' LEU . 91.5 mt -94.6 -54.43 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 20' ' ' ILE . 11.1 mp -78.1 -13.38 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 46.42 39.35 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -142.81 160.29 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -77.46 115.14 16.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.62 132.09 56.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 124.24 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -133.25 154.81 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 53.5 t-105 -92.49 128.81 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 61.0 m-85 -116.44 148.27 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 3.6 m-20 -155.8 112.78 3.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 37' ' ' LEU . 8.3 tp -88.27 142.85 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.1 m0 -96.15 174.75 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -77.25 -30.11 54.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -7.22 57.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.21 -28.78 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -54.85 135.85 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HB2' HD12 ' A' ' 31' ' ' LEU . 20.4 tp -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 32' ' ' TRP . 47.3 mt -131.46 135.65 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -125.27 148.87 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 m-85 -118.03 164.71 14.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -66.36 -39.77 89.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p30 -144.22 -178.17 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.5 -28.87 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.2 p -58.43 -13.76 6.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 16.8 mtt85 42.75 41.15 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.34 -12.95 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -129.26 90.02 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.37 97.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -48.92 -68.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 5.9 m-20 -164.08 159.91 21.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.11 137.05 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.2 t -150.46 139.36 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.476 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -82.95 167.51 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -103.8 -70.39 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.78 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.476 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 13.2 t -122.52 -49.12 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.1 m-20 -90.49 -43.15 10.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.56 ' SG ' HG23 ' A' ' 84' ' ' ILE . 36.9 t -85.01 136.1 33.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -114.57 -30.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -140.25 170.69 15.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 54' ' ' MET . 80.3 mt -140.54 108.28 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -97.01 131.45 43.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.55 ' CG2' HD12 ' A' ' 82' ' ' LEU . 59.9 p -145.08 149.06 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.86 -124.86 7.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -88.36 15.56 7.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.405 ' HB3' HD11 ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.79 147.5 62.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.38 21.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -43.7 129.77 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.405 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 87.97 20.79 48.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 18.2 mmtp -146.58 139.58 14.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -164.37 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -102.91 -41.72 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -53.27 -17.71 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.0 p -91.5 15.36 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 72' ' ' PRO . 51.7 mt -99.3 131.59 45.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 109' ' ' LEU . 6.0 tp -127.02 130.49 50.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -131.6 150.58 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.56 HG23 ' SG ' ' A' ' 58' ' ' CYS . 7.8 mm -125.52 117.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -86.53 120.98 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 49.4 m -89.18 175.42 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -72.39 -67.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.91 -60.47 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 33.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -101.9 102.83 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -92.31 126.62 37.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 72.5 mt -106.66 119.51 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -95.78 123.77 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.437 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -128.38 162.67 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.1 t -144.59 131.4 20.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -94.61 171.12 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.54 -35.21 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -158.89 161.55 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.5 m -42.78 -43.45 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -56.23 -44.79 79.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.546 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.2 m-20 -64.77 -51.56 61.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.1 t -55.75 -49.19 73.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.588 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 26.3 mt -58.01 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.34 -45.87 17.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.774 ' NE1' HD11 ' A' ' 14' ' ' LEU . 37.4 m95 -69.8 -41.81 74.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -58.59 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 15.1 m-85 -56.44 -45.64 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.7 m -65.66 -46.66 78.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.593 ' CD1' HD21 ' A' ' 82' ' ' LEU . 24.0 mt -62.58 -37.03 84.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -66.84 -27.65 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -94.14 -13.98 26.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.3 p -84.96 -24.22 28.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.7 t -48.85 -60.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 41.9 tttp -148.61 128.85 13.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.487 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 62.4 p -118.23 133.1 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.94 177.91 40.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.688 ' O ' HD23 ' A' ' 14' ' ' LEU . 77.0 m95 -97.79 144.02 27.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' NE1' ' A' ' 105' ' ' TRP . 58.8 mt -155.6 147.51 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.56 122.13 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -111.46 126.49 55.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -75.25 129.53 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -91.83 159.37 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 p -100.74 5.69 43.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.0 -27.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.69 -5.69 15.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp 41.43 45.74 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -150.02 162.22 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -83.66 129.13 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 136.37 52.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.558 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.6 tttm -68.99 132.73 47.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -139.4 165.96 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.484 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 51.4 t-105 -111.23 110.01 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 74.0 m-85 -98.65 156.18 16.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.487 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 32.4 m-20 -158.77 112.87 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' VAL . 10.7 tp -88.35 139.67 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.403 ' NE1' HD12 ' A' ' 38' ' ' ILE . 10.0 m0 -92.45 155.02 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -54.95 -31.63 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.4 -24.25 60.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.24 -26.03 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -52.48 140.71 21.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 tp -118.16 130.02 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.503 HD11 ' HE2' ' A' ' 51' ' ' LYS . 57.1 mt -138.28 129.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -116.21 156.35 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 41.5 m-85 -123.57 172.5 8.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -75.23 -34.0 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.7 p30 -153.68 178.43 9.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -56.66 -34.02 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.0 p -56.89 -20.18 21.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.511 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 55.0 mtm180 45.59 40.17 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -100.3 -15.72 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -125.23 78.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.5 mt -48.19 120.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 11.1 mm-40 -72.02 -56.12 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.543 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -174.06 160.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HE2' HD11 ' A' ' 38' ' ' ILE . 18.6 ttmt -123.35 138.07 54.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG13 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -153.34 150.02 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -93.18 165.7 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.4 mmm -100.95 -69.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.84 3.86 2.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -123.19 -49.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.469 ' CB ' HG13 ' A' ' 52' ' ' VAL . 2.6 t0 -87.34 -49.99 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.699 ' SG ' HG23 ' A' ' 84' ' ' ILE . 47.0 t -75.39 117.83 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 87' ' ' ARG . 20.0 pt -99.84 -30.21 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -143.32 168.92 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.65 126.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -110.5 142.33 42.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.785 HG21 ' HD2' ' A' ' 106' ' ' LYS . 19.6 p -146.19 133.64 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.91 -131.66 10.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -85.45 29.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.91 65.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.04 32.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.07 124.6 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.13 18.12 34.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -144.36 139.61 15.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -166.38 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HD2' HD12 ' A' ' 81' ' ' LEU . 8.0 tpt180 -96.38 -43.41 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.2 -19.2 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.87 14.7 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD12 ' HD2' ' A' ' 78' ' ' ARG . 48.5 mt -102.24 137.45 40.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 HD11 ' A' ' 109' ' ' LEU . 7.0 tp -134.49 119.91 19.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -115.57 139.88 49.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.699 HG23 ' SG ' ' A' ' 58' ' ' CYS . 39.8 mm -117.54 96.03 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.42 103.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.6 m -65.01 -176.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 59' ' ' ILE . 3.7 ttt180 -101.62 -50.74 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' GLY . 9.1 m-20 -79.14 70.57 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 35.71 85.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 91' ' ' THR . 37.9 tttt -174.8 160.3 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.477 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 54.9 m -151.59 142.52 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -115.17 116.2 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.58 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.5 mt -112.34 159.64 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.6 t -143.86 128.9 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -90.36 157.47 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.73 -42.75 93.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.8 p -148.77 162.38 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.8 m -43.71 -44.1 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -49.86 71.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.468 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 4.4 m-20 -58.54 -49.92 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.5 t -53.75 -48.97 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.77 -45.88 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.96 -56.15 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.784 ' NE1' HD11 ' A' ' 14' ' ' LEU . 27.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.785 ' HD2' HG21 ' A' ' 63' ' ' THR . 20.1 tttp -55.05 -49.28 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -56.36 -41.88 76.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -66.17 -43.07 87.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.6 HD11 HD21 ' A' ' 82' ' ' LEU . 14.3 mt -65.88 -51.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -54.14 -20.88 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.93 -45.01 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.5 p -56.77 -35.6 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.511 ' CE2' ' NH1' ' A' ' 45' ' ' ARG . 20.3 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.955 0.407 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.65 -60.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.7 tttp -142.02 144.55 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 p -136.5 131.35 33.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.584 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -160.36 -178.76 34.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 65.2 m95 -96.54 128.93 43.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.856 HD11 ' NE1' ' A' ' 105' ' ' TRP . 56.0 mt -144.09 148.83 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -90.24 147.71 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -133.77 130.23 37.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.29 127.9 34.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -92.75 173.91 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.2 p -107.98 -21.26 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.3 mt -98.43 -39.72 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.2 mp -89.18 -3.13 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' LEU . 46.9 mmtt 34.48 50.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -158.48 173.4 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -94.62 129.87 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -124.72 139.66 53.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 55.2 tttt -66.67 130.34 42.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -137.07 164.67 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 45.5 t-105 -108.42 114.77 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.528 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 70.1 m-85 -100.95 153.69 19.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -157.21 112.0 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.5 tp -85.33 142.98 28.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.4 m0 -96.61 174.46 6.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -75.36 -30.21 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.22 2.32 44.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.52 -36.31 4.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -43.63 134.89 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 tp -117.73 129.8 55.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.619 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 30.1 mt -136.21 128.44 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -115.59 163.92 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 22.2 m-85 -131.91 162.01 31.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.23 -46.53 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -133.63 -175.6 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -13.43 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -70.13 -16.54 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.511 ' NH1' ' CE2' ' A' ' 8' ' ' PHE . 35.9 mtm180 41.03 36.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -94.78 -22.95 17.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -121.13 87.52 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 mt -51.37 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -54.92 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 3.3 t70 -171.71 174.4 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.573 ' O ' HG23 ' A' ' 52' ' ' VAL . 24.5 ttmt -136.83 143.86 43.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 51' ' ' LYS . 19.7 t -160.07 129.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -75.22 167.05 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.643 ' SD ' HD22 ' A' ' 109' ' ' LEU . 25.7 mmm -103.49 -70.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.2 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.616 2.211 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 39.4 t -122.69 -47.23 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' OD2' HG13 ' A' ' 52' ' ' VAL . 6.5 t0 -87.08 -46.07 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.401 ' SG ' HG23 ' A' ' 84' ' ' ILE . 9.6 t -84.58 139.73 31.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.9 -23.75 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -142.79 158.12 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 ' HE1' ' A' ' 54' ' ' MET . 86.7 mt -134.46 109.03 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 66' ' ' GLU . 14.4 mtp180 -97.6 146.05 25.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.597 HG21 ' HD2' ' A' ' 106' ' ' LYS . 10.7 p -146.12 137.3 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.22 -116.91 4.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.415 ' ND1' ' HD3' ' A' ' 78' ' ' ARG . 26.9 m80 -87.68 -17.69 31.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . 8.9 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.576 0.703 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.53 ' HD3' HD11 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.79 160.54 49.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.46 21.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -39.85 116.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.96 -29.87 6.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -102.74 143.7 27.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -166.57 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HD3' ' ND1' ' A' ' 65' ' ' HIS . 7.2 ttt85 -98.77 -38.09 9.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.4 -16.86 39.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 22.7 m -88.9 3.82 50.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.53 HD11 ' HD3' ' A' ' 72' ' ' PRO . 65.2 mt -85.2 132.7 34.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 63' ' ' THR . 5.6 tp -131.89 117.78 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -113.81 146.36 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.401 HG23 ' SG ' ' A' ' 58' ' ' CYS . 3.3 mm -125.1 108.37 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -80.26 116.88 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.8 m -90.14 -176.2 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -84.53 -45.18 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 90' ' ' LYS . 10.5 m-20 -77.11 57.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 36.51 30.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' ASP . 22.1 tptt -100.03 139.22 36.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -133.92 137.45 44.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.47 117.42 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -88.29 115.08 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.528 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 67.2 mt -116.99 162.57 17.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -148.52 133.49 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.89 -179.84 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.0 -29.11 13.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 t -145.78 146.4 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -41.45 -45.34 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.81 -45.95 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -48.82 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.4 t -56.76 -53.65 55.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.438 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 8.1 mt -52.68 -50.99 62.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.65 -55.79 10.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.856 ' NE1' HD11 ' A' ' 14' ' ' LEU . 18.3 m95 -53.34 -51.81 61.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.597 ' HD2' HG21 ' A' ' 63' ' ' THR . 23.6 tttp -54.27 -51.45 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.438 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 21.2 m-85 -56.35 -45.02 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.8 m -59.4 -50.44 73.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.643 HD22 ' SD ' ' A' ' 54' ' ' MET . 7.4 mt -61.22 -58.37 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -44.53 -25.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -85.73 -40.37 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -13.4 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 16.7 mtm105 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.9 t -47.33 -53.42 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -146.99 139.28 24.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 97.7 p -134.28 142.4 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.04 31.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.845 ' O ' HD23 ' A' ' 14' ' ' LEU . 93.8 m95 -76.87 136.98 38.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 13' ' ' TRP . 39.7 mt -151.17 140.28 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.25 136.88 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -126.72 131.17 51.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.17 123.36 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -103.66 159.25 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -86.73 -27.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 mm -82.54 -27.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.4 mt -103.38 -22.53 13.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm 46.92 39.71 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -157.32 148.57 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -67.96 117.08 9.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -120.52 127.92 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 134.43 27.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -144.24 156.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.478 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 74.4 t-105 -103.77 127.62 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 58.9 m-85 -116.44 149.8 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.423 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.5 m-20 -152.54 116.78 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 37' ' ' LEU . 6.6 tp -92.42 134.11 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -89.32 164.99 14.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -67.3 -30.35 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.08 -3.98 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.99 -35.71 4.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -46.76 135.24 9.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 31' ' ' LEU . 26.5 tp -118.81 130.18 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 mt -135.05 129.11 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -116.11 155.26 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.7 m-85 -125.03 168.34 13.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.42 -34.9 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.09 -177.95 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -25.42 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -56.26 -28.4 58.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 58.23 39.79 25.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -94.47 -40.52 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.6 m -111.26 103.68 12.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.5 108.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.64 -63.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -168.11 177.68 5.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -137.12 136.15 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.619 HG13 ' OD2' ' A' ' 57' ' ' ASP . 23.8 t -152.01 142.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.654 ' CD2' ' HB ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -88.59 166.88 13.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.3 mmm -101.13 -70.25 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.654 ' HB ' ' CD2' ' A' ' 53' ' ' HIS . 2.6 t -121.99 -50.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.619 ' OD2' HG13 ' A' ' 52' ' ' VAL . 4.3 t70 -86.33 -43.73 12.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.437 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . 1.5 t -86.11 133.92 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.4 -30.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -143.51 147.08 33.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.415 HD12 ' OE1' ' A' ' 110' ' ' GLN . 47.5 mt -116.01 115.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -106.58 138.17 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.531 HG22 HD12 ' A' ' 82' ' ' LEU . 44.2 p -144.1 161.89 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.36 -101.48 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -103.71 -31.53 9.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.909 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 160.13 50.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.287 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 54.2 Cg_endo -69.69 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -97.59 120.03 37.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.08 -7.06 56.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 11.0 mmmt -115.59 141.0 26.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.384 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.0 ttm-85 -96.85 -32.68 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.06 -15.24 55.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.4 m -90.23 8.08 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.06 116.7 27.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.531 HD12 HG22 ' A' ' 63' ' ' THR . 3.8 tp -112.73 140.91 47.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.415 ' O ' HD13 ' A' ' 84' ' ' ILE . 16.1 tt0 -139.51 159.99 40.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 58' ' ' CYS . 4.1 mm -140.46 114.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.32 129.03 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.09 -178.66 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -72.69 -63.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.36 -63.72 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.69 33.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -100.75 105.8 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -95.03 131.67 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.0 mt -107.29 123.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 120.17 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.451 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 30.0 mt -130.31 157.41 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 t -142.99 149.85 38.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.07 -176.05 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 6.7 tt0 -101.61 -29.4 11.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -143.97 135.85 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.9 m -40.54 -39.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -54.81 -43.62 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.1 -57.14 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.16 -48.52 23.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.9 mt -60.13 -40.47 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.96 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.679 ' NE1' HD11 ' A' ' 14' ' ' LEU . 20.0 m95 -59.57 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -56.94 -57.43 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.4 m-85 -52.0 -41.09 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.9 m -66.02 -46.71 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.605 HD22 ' SD ' ' A' ' 54' ' ' MET . 9.5 mt -61.8 -35.58 78.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.415 ' OE1' HD12 ' A' ' 61' ' ' ILE . 14.5 mm-40 -72.24 -34.7 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.1 -29.69 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -74.56 -21.19 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 13.9 mtp-105 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.45 -59.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 40.1 tttp -149.15 140.99 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.6 p -130.24 133.32 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.526 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.82 175.91 41.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.654 ' O ' HD23 ' A' ' 14' ' ' LEU . 76.8 m95 -89.11 139.2 30.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.758 HD11 ' NE1' ' A' ' 105' ' ' TRP . 51.5 mt -153.83 147.36 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 26' ' ' LYS . 5.2 mt -88.48 150.0 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -136.44 110.79 8.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.97 105.12 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 m -70.26 -178.57 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -107.57 -24.59 11.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.6 mt -86.74 -48.25 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.03 -14.47 50.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt 40.83 49.74 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -152.69 153.12 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.47 114.23 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.4 135.51 53.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.629 ' HA ' HD23 ' A' ' 15' ' ' LEU . 15.1 tttm -64.19 133.37 52.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -142.46 165.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 64.2 t-105 -107.9 129.73 55.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 52.8 m-85 -117.64 160.3 21.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 27.7 m-20 -162.18 118.27 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -92.81 143.68 26.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.444 ' NE1' HD12 ' A' ' 38' ' ' ILE . 12.0 m95 -98.2 151.78 20.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 t -52.32 -31.66 34.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.4 -22.03 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.7 -30.51 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -50.1 136.29 19.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.02 129.78 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.444 HD12 ' NE1' ' A' ' 32' ' ' TRP . 59.3 mt -134.24 131.56 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -118.93 157.68 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 46.3 m-85 -124.51 172.04 9.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.06 -30.18 60.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -157.91 -175.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -71.94 -6.83 44.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -75.25 -22.95 57.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.467 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 37.3 mtt180 51.9 28.8 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -82.91 -43.23 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -114.72 103.6 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mt -65.35 117.42 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.33 -62.01 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.6 t70 -171.7 166.21 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 52' ' ' VAL . 17.2 ttpp -130.51 141.57 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 51' ' ' LYS . 22.3 t -155.92 148.3 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -93.67 167.66 11.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.629 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.0 mmm -103.03 -70.35 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.0 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.479 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -120.62 -53.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 5.0 m-20 -85.01 -46.46 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.84 148.2 27.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 pt -120.91 -28.81 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.3 161.25 41.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.429 HD12 ' HG2' ' A' ' 110' ' ' GLN . 20.9 mt -122.45 120.89 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.627 ' HE ' HG21 ' A' ' 85' ' ' VAL . 73.9 mtt-85 -112.4 123.46 50.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.615 HG22 HD12 ' A' ' 82' ' ' LEU . 68.7 p -127.41 138.18 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -122.7 9.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -64.83 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.709 0.29 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.567 ' HB3' HD21 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.72 164.15 35.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.94 149.88 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.81 38.52 30.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -146.94 136.42 11.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.723 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -173.79 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HG2' HD12 ' A' ' 81' ' ' LEU . 11.4 ttm180 -105.41 -22.04 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -73.59 -7.74 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -101.16 11.44 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 72' ' ' PRO . 88.9 mt -91.48 142.18 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.615 HD12 HG22 ' A' ' 63' ' ' THR . 4.1 tp -133.07 123.91 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -124.32 150.79 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mm -127.65 127.69 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.627 HG21 ' HE ' ' A' ' 62' ' ' ARG . 47.2 t -95.31 132.26 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.5 m -96.47 -175.45 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -90.73 -18.13 25.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -105.51 25.57 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.27 -25.21 4.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -48.61 133.3 16.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -132.1 135.75 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -111.89 127.72 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.32 126.69 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 55.9 mt -131.67 163.16 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 49.1 t -144.79 146.17 32.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -109.79 161.57 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -57.54 -36.09 71.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -160.04 168.77 24.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.8 m -46.96 -46.61 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.52 -48.36 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.453 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 6.1 m-20 -62.97 -40.46 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 35.3 t -62.81 -56.54 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.59 -44.76 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.1 -59.24 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.758 ' NE1' HD11 ' A' ' 14' ' ' LEU . 30.6 m95 -53.7 -53.44 52.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -47.52 -59.74 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -50.89 -37.58 44.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.2 m -66.35 -53.09 40.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 11.3 mt -60.19 -48.4 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.429 ' HG2' HD12 ' A' ' 61' ' ' ILE . 35.9 mt-30 -55.41 -25.4 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -87.94 -40.1 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 p -61.6 -14.97 34.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -44.65 -57.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -148.08 143.01 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -133.46 140.44 47.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.15 166.39 39.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.692 ' O ' HD23 ' A' ' 14' ' ' LEU . 74.4 m95 -78.23 142.94 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 13' ' ' TRP . 39.2 mt -157.78 141.75 15.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.496 HD23 ' CA ' ' A' ' 26' ' ' LYS . 32.4 mt -85.22 146.84 26.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -136.49 138.32 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.81 102.61 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -73.73 150.96 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -83.61 -5.11 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.176 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.83 -49.29 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 -8.53 49.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 43.5 40.12 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 3.3 ptm85 -144.16 169.73 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -88.37 119.59 28.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -123.61 133.92 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.21 129.27 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -136.09 164.74 27.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 65.5 t-105 -104.74 123.99 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 45.3 m-85 -113.0 154.58 26.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.3 m-20 -156.92 119.86 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.76 140.87 29.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -94.93 172.0 8.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.1 p -74.84 -23.5 58.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.97 -0.35 57.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.39 -28.09 17.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -51.95 135.55 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 30' ' ' ASP . 35.6 tp -118.31 129.76 55.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.503 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 22.0 mt -134.43 132.81 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -121.02 160.52 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.92 160.94 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.34 -41.52 80.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 -176.1 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -62.24 -19.28 63.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.1 p -65.96 -30.87 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 57.4 45.92 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.38 -23.9 15.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -130.23 102.16 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.38 100.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -46.26 -71.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.432 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 20.3 m-20 -163.66 160.89 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . 21.8 ttpt -124.68 141.83 51.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' LYS . 20.2 t -158.51 136.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.482 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -79.78 167.35 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.3 mmm -103.85 -70.23 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.4 Cg_endo -69.74 2.48 3.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 16.7 t -121.38 -48.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -92.19 -47.12 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.575 ' SG ' HG23 ' A' ' 84' ' ' ILE . 41.8 t -78.6 119.95 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.404 HD11 ' CG ' ' A' ' 88' ' ' ASP . 14.5 pt -101.79 -29.33 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -141.8 170.59 15.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mt -139.3 112.93 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -100.19 117.23 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.6 p -133.36 157.01 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.56 -113.27 3.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.6 m80 -92.78 -17.84 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 140.86 43.47 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 131.27 20.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -42.21 136.13 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.09 -1.66 80.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -124.58 139.45 33.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.53 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 65' ' ' HIS . 3.1 mtp180 -97.92 -41.97 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.58 -20.99 23.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.4 m -81.88 14.94 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.2 mt -100.06 129.28 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.672 HD21 HD11 ' A' ' 109' ' ' LEU . 5.4 tp -127.88 127.11 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.574 ' OE1' HG21 ' A' ' 91' ' ' THR . 6.2 tt0 -127.22 151.61 48.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.575 HG23 ' SG ' ' A' ' 58' ' ' CYS . 10.2 mm -130.97 97.93 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.66 106.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ARG . 28.6 t -91.24 116.46 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' CYS . 18.1 mtp180 34.21 36.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 86' ' ' CYS . 14.3 m-20 46.78 52.96 10.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.48 -51.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -115.82 90.8 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.574 HG21 ' OE1' ' A' ' 83' ' ' GLN . 92.4 m -79.51 133.12 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -108.09 115.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.65 116.3 28.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.555 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.4 mt -123.08 168.43 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.7 t -156.71 126.22 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.564 ' HB3' ' HB2' ' A' ' 102' ' ' CYS . . . -87.46 177.01 7.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -89.07 -48.9 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 101' ' ' ASP . 4.4 m -123.65 145.68 48.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.4 m -39.92 -44.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -41.76 93.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.7 OUTLIER -61.63 -46.27 90.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 40.5 t -63.09 -53.16 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.1 mt -56.55 -55.13 37.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -40.09 -48.62 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.688 ' NE1' HD11 ' A' ' 14' ' ' LEU . 31.5 m95 -62.63 -55.05 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 109' ' ' LEU . 33.5 tttm -44.32 -59.68 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -44.77 -51.68 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 m -60.05 -40.7 90.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.672 HD11 HD21 ' A' ' 82' ' ' LEU . 43.8 mt -63.59 -54.82 29.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.96 -42.47 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' SER . 5.4 t70 -65.81 -58.09 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.5 m -36.91 -37.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 13.1 mtp-105 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.45 -58.62 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -143.44 127.83 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -117.14 128.68 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.476 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -164.96 172.92 40.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 82.3 m95 -92.45 130.82 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.809 HD11 ' NE1' ' A' ' 105' ' ' TRP . 60.6 mt -142.78 144.49 32.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 26' ' ' LYS . 81.7 mt -79.1 146.45 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -141.2 127.79 20.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -85.17 117.33 24.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -80.3 177.55 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.5 p -98.44 -29.27 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.7 -45.8 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.31 -23.7 46.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 42.36 48.8 4.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -150.49 151.09 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -75.07 116.71 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -125.8 135.91 52.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.36 130.74 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -135.86 165.11 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.476 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 27.4 t-105 -98.1 117.95 33.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 31.7 m-85 -105.99 151.87 24.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -156.21 112.6 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 37' ' ' LEU . 7.6 tp -88.14 148.64 24.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -101.6 150.17 23.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -51.84 -38.87 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.808 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -69.3 -28.93 66.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.99 -27.47 3.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -53.61 136.11 39.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HB2' HD12 ' A' ' 31' ' ' LEU . 28.4 tp -116.87 130.16 56.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.648 HD11 ' HE2' ' A' ' 51' ' ' LYS . 73.8 mt -137.45 128.09 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -116.0 157.61 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.71 ' CD2' HD13 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -122.83 178.88 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.13 -37.99 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -145.5 178.67 7.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.43 -14.41 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -67.27 -24.41 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 28.8 mtt85 56.88 28.79 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -91.99 -27.04 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -120.37 110.71 16.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.71 HD13 ' CD2' ' A' ' 40' ' ' TYR . 39.2 mm -75.55 129.55 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.73 -51.09 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 t70 -174.29 -178.92 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.648 ' HE2' HD11 ' A' ' 38' ' ' ILE . 19.6 ttmt -147.6 137.81 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 51' ' ' LYS . 32.2 t -157.79 151.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.477 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -97.77 167.16 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.4 mmm -103.9 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.2 Cg_endo -69.7 2.73 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 15.5 t -121.79 -47.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.1 m-20 -92.63 -47.72 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.533 ' SG ' HG23 ' A' ' 84' ' ' ILE . 43.8 t -76.93 144.99 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 pt -127.77 -29.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.406 ' CA ' HH22 ' A' ' 113' ' ' ARG . 5.2 t30 -143.05 158.33 43.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.507 HD11 ' HE1' ' A' ' 54' ' ' MET . 20.4 mt -131.17 111.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -91.14 119.36 31.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.52 ' CG2' HD12 ' A' ' 82' ' ' LEU . 32.1 p -140.4 134.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.58 -114.74 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -89.74 31.41 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.765 0.316 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.91 61.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.75 23.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -44.45 115.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.65 -38.47 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -87.49 142.99 33.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -167.03 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.472 ' HG2' HD12 ' A' ' 81' ' ' LEU . 11.0 ttt85 -104.15 -33.86 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -67.5 -6.46 19.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.66 10.01 42.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' A' ' 78' ' ' ARG . 63.1 mt -91.99 127.79 37.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.637 HD21 HD11 ' A' ' 109' ' ' LEU . 8.3 tp -122.4 126.06 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.647 ' OE1' HG21 ' A' ' 91' ' ' THR . 5.8 tt0 -121.47 147.63 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.559 HD13 ' O ' ' A' ' 83' ' ' GLN . 36.3 mm -126.95 92.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -73.78 124.3 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.53 -179.41 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 44.6 mtt180 -68.4 -59.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.98 -67.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.67 -37.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' GLY . 32.2 tttm -35.34 120.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.647 HG21 ' OE1' ' A' ' 83' ' ' GLN . 38.1 m -114.65 137.83 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.2 mt -107.82 122.15 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -98.74 113.56 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.1 mt -120.76 164.59 16.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -149.98 138.39 20.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -105.04 154.86 19.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -45.91 -41.14 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 t -159.24 164.86 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.1 m -42.74 -54.71 3.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -43.92 -46.12 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.577 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.0 m-20 -65.03 -55.56 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.7 t -49.28 -54.8 15.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.4 mt -48.62 -52.76 21.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.11 -56.89 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.809 ' NE1' HD11 ' A' ' 14' ' ' LEU . 43.4 m95 -58.4 -55.1 39.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 109' ' ' LEU . 25.6 tttm -41.12 -59.48 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -46.42 -49.91 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.2 m -58.08 -39.88 79.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 82' ' ' LEU . 21.8 mt -68.87 -57.79 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -52.95 -26.47 15.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.61 -34.63 17.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 p -71.71 -20.75 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.412 ' NH2' HG13 ' A' ' 61' ' ' ILE . 6.3 ptp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 t -60.11 -58.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 105' ' ' TRP . 52.6 tttt -143.92 134.37 24.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.7 p -132.29 139.39 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.62 176.15 45.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.425 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 72.8 m95 -92.09 139.08 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.799 HD11 ' NE1' ' A' ' 105' ' ' TRP . 69.1 mt -151.98 149.29 28.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 17.1 mt -80.31 151.52 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -146.83 120.82 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -81.61 106.32 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 p -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.4 p -93.67 -34.51 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -78.65 -66.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' LYS . 30.6 mt -65.48 -15.91 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' LEU . 25.8 mtmt 37.96 54.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -153.17 158.25 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 71' ' ' GLN . 95.3 m95 -80.75 106.95 13.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -113.88 143.08 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 1.2 tppt? -75.09 127.47 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -131.26 174.9 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.425 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 59.1 t-105 -110.66 113.94 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 69.4 m-85 -105.68 143.92 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.96 125.41 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 tp -93.9 145.91 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.691 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.2 m0 -100.5 157.63 16.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -59.63 -35.95 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.91 -9.27 58.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.82 -36.71 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.482 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 14.5 m80 -43.43 135.04 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -116.88 130.03 56.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.691 HD12 ' CE2' ' A' ' 32' ' ' TRP . 35.4 mt -134.31 136.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -126.43 150.83 48.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CE2' HG12 ' A' ' 48' ' ' ILE . 48.1 m-85 -118.39 168.87 10.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.49 -44.9 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -140.26 177.4 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -62.74 -8.48 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p -77.53 -18.56 56.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 63.6 mtt180 49.35 41.63 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -99.62 -30.58 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.04 86.73 2.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.554 HG12 ' CE2' ' A' ' 40' ' ' TYR . 97.0 mt -56.14 111.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.77 -61.23 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 27.7 t70 -173.4 158.22 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -123.5 133.25 54.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -153.28 136.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 2.6 t-160 -78.97 167.32 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.839 ' HE1' HD11 ' A' ' 61' ' ' ILE . 27.0 mmm -102.87 -70.36 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 3.4 t -122.36 -50.42 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -89.58 -52.47 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.602 ' SG ' HG23 ' A' ' 84' ' ' ILE . 37.5 t -69.86 125.18 25.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.39 -23.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.16 152.02 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.839 HD11 ' HE1' ' A' ' 54' ' ' MET . 89.8 mt -123.53 113.01 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -97.16 122.27 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 HG22 ' A' ' 61' ' ' ILE . 48.9 p -138.05 145.56 41.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 -106.63 2.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' GLU . 91.4 m-70 -93.07 -35.0 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.737 0.303 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' HIS . 6.7 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 13.6 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.2 Cg_endo -69.77 148.46 65.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.91 55.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -55.83 128.14 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 21.95 38.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -143.68 136.73 13.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.552 0.692 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.27 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -96.07 -37.3 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.3 -12.49 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.3 p -93.99 12.04 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 72' ' ' PRO . 88.6 mt -98.17 128.94 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.574 HD21 HD11 ' A' ' 109' ' ' LEU . 5.1 tp -120.69 125.91 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.41 ' OE1' HG21 ' A' ' 91' ' ' THR . 11.3 tt0 -127.9 149.74 50.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.602 HG23 ' SG ' ' A' ' 58' ' ' CYS . 11.8 mm -130.83 100.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.57 141.02 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.1 m -106.81 -175.0 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -84.99 -38.59 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.26 24.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 84.9 -36.91 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLY . 62.8 tttm -35.22 148.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.41 HG21 ' OE1' ' A' ' 83' ' ' GLN . 20.2 m -150.84 137.5 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.0 mt -107.9 122.38 62.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -93.88 117.93 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 7.1 mt -128.56 164.71 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.9 t -153.63 137.21 15.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -103.73 159.47 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -50.36 -56.0 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.5 p -135.03 163.67 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.5 m -44.17 -54.41 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -46.16 -46.34 17.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.631 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 33.3 m-20 -59.59 -47.69 84.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.83 -56.2 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.3 mt -47.59 -48.15 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.403 ' HB1' ' NZ ' ' A' ' 10' ' ' LYS . . . -47.1 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.799 ' NE1' HD11 ' A' ' 14' ' ' LEU . 39.0 m95 -53.08 -55.89 20.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -42.18 -58.28 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 22.4 m-85 -45.86 -49.14 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.1 m -62.28 -51.99 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.574 HD11 HD21 ' A' ' 82' ' ' LEU . 39.0 mt -53.01 -48.45 67.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -62.93 -35.77 81.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.24 -35.4 78.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 p -65.85 -12.32 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 12.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -49.5 -62.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 46.4 tttp -136.08 144.44 45.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 39.5 p -136.98 141.85 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -177.24 175.16 47.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.537 ' O ' HD23 ' A' ' 14' ' ' LEU . 85.4 m95 -92.73 137.32 32.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.579 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.1 mt -147.82 142.36 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.1 126.83 33.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -121.23 115.6 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -71.91 122.88 21.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -98.6 170.0 9.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -87.31 -35.36 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -71.58 -68.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.1 mt -65.6 -8.25 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.2 mtmp? 35.39 54.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -166.21 167.23 16.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -80.27 125.51 29.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -126.29 128.63 47.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -63.89 132.22 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -136.43 175.93 9.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 57.6 t-105 -115.09 113.32 23.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 35.8 m-85 -100.11 150.14 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.52 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 7.1 m-20 -154.74 112.83 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 tp -85.74 140.58 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.3 161.2 14.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 p -66.77 -24.56 66.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.74 9.97 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 -38.89 3.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -43.07 135.21 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 tp -120.26 129.67 54.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.4 mt -136.11 134.72 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 1.7 p90 -123.91 152.06 42.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' A' ' 45' ' ' ARG . 21.8 m-85 -117.29 178.96 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 19.4 t0 -81.36 -22.77 38.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 64.6 m-20 -163.61 -174.97 3.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.64 47.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 p -114.76 -14.72 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.453 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 15.7 mtt180 41.15 29.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -119.26 -33.35 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -102.83 76.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.426 HG12 ' CE2' ' A' ' 40' ' ' TYR . 82.2 mt -55.81 116.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -73.3 -48.37 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 26.8 t0 -169.45 172.07 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -140.99 134.01 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG13 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -152.58 137.11 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.465 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -82.56 166.46 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.625 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.5 mmm -101.12 -70.05 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.625 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.73 3.36 2.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.465 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -122.38 -50.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.443 ' CB ' HG13 ' A' ' 52' ' ' VAL . 1.3 t70 -84.1 -61.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.38 133.89 48.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.405 HG23 ' HG3' ' A' ' 87' ' ' ARG . 5.0 pt -109.98 -27.87 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -139.91 161.61 37.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.606 HD11 ' HE1' ' A' ' 54' ' ' MET . 89.3 mt -135.31 126.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.652 ' NH1' HG21 ' A' ' 85' ' ' VAL . 15.6 mtt85 -125.55 148.91 48.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.793 HG22 HD12 ' A' ' 82' ' ' LEU . 15.3 p -138.76 152.47 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.34 -139.3 41.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -51.44 -36.01 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.877 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD3' ' NH1' ' A' ' 78' ' ' ARG . 53.8 Cg_endo -69.77 155.19 66.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -164.62 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.44 149.54 30.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.81 15.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HZ1' ' HA ' ' A' ' 97' ' ' GLU . 14.6 mmtt -146.41 131.94 9.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 173.62 10.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.318 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' NH1' ' HD3' ' A' ' 72' ' ' PRO . 9.4 ttm-85 -102.23 11.78 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.53 -13.04 16.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.58 5.4 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -74.93 141.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.793 HD12 HG22 ' A' ' 63' ' ' THR . 6.2 tp -133.99 133.92 41.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -131.82 153.22 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.67 127.71 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.652 HG21 ' NH1' ' A' ' 62' ' ' ARG . 39.3 t -95.63 120.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.3 m -88.45 -175.72 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' HG3' HG23 ' A' ' 59' ' ' ILE . 22.8 mtp85 -89.99 -9.14 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -106.38 44.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 47.33 20.62 0.95 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -89.65 156.67 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.6 m -140.46 128.73 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 118.51 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 m -88.27 122.76 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.9 mt -128.38 164.35 22.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 t -144.55 137.44 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 97' ' ' GLU . . . -104.89 141.23 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.504 ' HA ' ' HZ1' ' A' ' 76' ' ' LYS . 5.8 tt0 -37.7 -48.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -146.61 165.41 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -45.54 -54.24 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -49.2 -44.82 43.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.75 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.9 t -61.73 -53.29 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.9 mt -51.83 -49.09 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.53 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.579 ' NE1' HD11 ' A' ' 14' ' ' LEU . 21.6 m95 -64.72 -46.62 81.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.608 ' HD2' HG21 ' A' ' 63' ' ' THR . 30.7 tttp -57.32 -48.15 79.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 23.5 m-85 -58.04 -51.83 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m -62.02 -36.5 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 105' ' ' TRP . 9.3 mt -72.84 -30.35 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -78.63 -37.12 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.92 -20.63 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -81.06 -21.54 39.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.8 t -46.14 -58.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 49.6 tttp -143.17 144.36 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.486 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 82.8 p -133.77 141.37 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.411 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -174.25 158.17 26.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.778 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.3 m95 -77.29 135.59 38.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 13' ' ' TRP . 31.0 mt -148.0 139.75 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -84.29 124.36 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 35.6 ttp85 -112.92 132.03 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -83.8 96.37 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -64.68 174.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 p -97.25 -25.93 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mt -88.91 -58.58 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.13 -14.96 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 39.68 52.77 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -166.01 164.72 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -76.96 113.68 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -116.47 133.39 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 2.6 ttpm? -63.64 130.57 44.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -137.56 175.11 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.459 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 37.3 t-105 -117.83 112.52 20.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 63.5 m-85 -98.69 148.93 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.486 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 72.3 m-20 -155.35 114.15 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 37' ' ' LEU . 8.5 tp -86.83 147.02 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.0 m0 -100.35 171.53 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 t -71.39 -29.74 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.02 8.15 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.43 -34.47 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -46.42 134.27 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.63 ' HB2' HD12 ' A' ' 31' ' ' LEU . 19.7 tp -117.06 129.53 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.708 HD11 ' HE2' ' A' ' 51' ' ' LYS . 42.0 mt -135.19 132.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 1.2 p90 -119.9 159.97 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.541 ' CE2' ' HG2' ' A' ' 45' ' ' ARG . 26.2 m-85 -125.35 175.31 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 16.0 t0 -74.01 -28.15 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 19.6 m-20 -161.82 -175.51 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.604 HE22 HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -75.76 48.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.604 HG23 HE22 ' A' ' 43' ' ' GLN . 7.0 p -118.55 -27.14 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 60.6 mtt180 55.76 36.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -120.37 -29.91 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.8 t -104.72 68.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.0 mt -46.06 92.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' SER . 32.0 mm-40 -51.53 -59.26 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 10.5 t0 -167.11 176.47 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.708 ' HE2' HD11 ' A' ' 38' ' ' ILE . 28.0 ttmt -141.69 130.12 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.0 t -142.7 138.23 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.471 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.96 166.99 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.2 mmm -102.19 -69.99 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.679 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.8 1.71 4.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.9 t -121.05 -48.21 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 1.1 t70 -88.33 -44.86 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 84' ' ' ILE . 13.0 t -85.96 138.72 31.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -119.89 -29.54 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -138.07 149.16 45.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.6 HD11 ' HE1' ' A' ' 54' ' ' MET . 79.7 mt -122.88 134.55 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -132.06 149.32 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.41 ' CG2' HD12 ' A' ' 82' ' ' LEU . 1.3 p -138.68 132.82 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.86 -133.74 31.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -50.73 -47.91 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HA ' HD21 ' A' ' 81' ' ' LEU . 53.1 Cg_endo -69.83 154.67 67.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.0 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.48 140.08 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 61.2 41.05 99.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 8.6 mmmm -153.75 137.68 10.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.65 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -103.91 -34.55 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.28 -12.46 41.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.5 p -93.44 10.29 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.427 HD21 ' HA ' ' A' ' 72' ' ' PRO . 81.3 mt -89.0 138.75 31.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.594 HD23 HD12 ' A' ' 94' ' ' LEU . 6.9 tp -130.45 127.9 40.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.437 ' HG2' HG23 ' A' ' 91' ' ' THR . 10.4 tt0 -122.79 153.3 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 83' ' ' GLN . 13.2 mm -133.66 114.18 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.99 110.08 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 98.1 m -83.26 -177.4 6.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -79.71 -39.57 30.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' LYS . 7.0 t0 -88.89 53.26 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.46 26.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 88' ' ' ASP . 75.9 tttt -92.61 95.15 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.437 HG23 ' HG2' ' A' ' 83' ' ' GLN . 91.2 m -87.21 126.79 35.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.43 118.92 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m -88.47 119.34 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.594 HD12 HD23 ' A' ' 82' ' ' LEU . 41.8 mt -123.34 155.59 36.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 t -138.95 134.8 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -102.45 154.15 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.69 -50.7 72.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 t -137.59 151.0 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.6 m -38.76 -37.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -55.9 -51.02 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.897 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.3 t70 -57.45 -52.73 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.2 -53.67 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -55.1 -50.52 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.67 70.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.572 ' NE1' HD11 ' A' ' 14' ' ' LEU . 19.4 m95 -66.27 -49.51 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -53.61 -54.56 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -54.48 -46.06 73.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.7 m -61.24 -47.57 85.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.8 -43.56 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -75.23 -53.23 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.6 p -40.96 -31.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.32 -58.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.2 tttp -147.99 143.59 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 p -135.24 131.55 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -163.41 169.69 38.56 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.845 ' O ' HD23 ' A' ' 14' ' ' LEU . 78.0 m95 -81.62 135.98 35.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.7 mt -151.43 139.08 19.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 26' ' ' LYS . 15.6 mt -81.2 154.58 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -142.72 126.4 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -86.23 106.56 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -84.1 165.68 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.3 p -82.98 -26.19 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.34 -58.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD22 ' HD2' ' A' ' 25' ' ' LYS . 6.1 mp -67.22 -21.15 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 39.56 48.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -164.59 152.46 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -68.74 116.63 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD2' HD22 ' A' ' 21' ' ' LEU . 20.7 ptmt -121.56 128.54 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -52.94 127.77 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -136.96 156.8 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.496 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 38.8 t-105 -103.13 130.06 50.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 50.2 m-85 -117.16 149.98 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -153.52 113.42 3.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -89.41 146.24 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -99.6 147.57 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -50.66 -33.93 24.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -70.71 -33.19 70.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.51 -23.05 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -57.67 139.05 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -116.87 129.72 56.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -137.64 128.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 1.0 OUTLIER -121.45 150.92 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.402 ' CG ' ' HA ' ' A' ' 45' ' ' ARG . 37.6 m-85 -116.76 176.21 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.68 -37.71 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.82 -177.58 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.04 -28.7 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -42.72 -41.53 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 54.5 mtt180 56.22 30.26 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -113.14 -30.25 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -102.63 79.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.28 120.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -78.01 -64.14 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 10.3 m-20 -160.81 153.61 21.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 52' ' ' VAL . 16.1 ttpt -123.18 140.41 53.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 51' ' ' LYS . 29.5 t -157.68 148.41 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.475 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.41 167.16 12.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.4 mmm -103.79 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.77 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.0 t -121.47 -50.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -88.39 -53.47 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.09 122.49 18.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 pt -102.18 -29.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -142.77 159.07 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.8 mt -125.85 112.32 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -105.98 128.78 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.765 HG22 HD12 ' A' ' 82' ' ' LEU . 76.5 p -136.63 136.9 39.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.51 -137.58 19.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -55.04 -26.42 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.59 68.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.48 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.55 109.05 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.84 8.69 20.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -130.56 140.92 40.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.81 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -94.36 -32.13 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.484 ' OD2' HG23 ' A' ' 99' ' ' THR . 12.3 t70 -65.5 -9.82 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -93.58 12.08 26.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.88 123.66 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.765 HD12 HG22 ' A' ' 63' ' ' THR . 4.9 tp -119.76 135.96 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -133.6 146.89 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.1 mm -126.41 103.58 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -77.85 120.64 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.31 171.74 12.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.62 -61.59 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.15 -63.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 175.16 -30.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' GLY . 35.4 tttp -36.04 101.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -98.88 134.95 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt -110.01 120.11 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.41 120.61 33.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.554 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 11.5 mt -128.51 158.59 37.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 t -144.45 117.89 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.73 170.06 15.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -76.92 -34.12 57.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' ASP . 2.3 t -149.75 146.18 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.484 HG23 ' OD2' ' A' ' 79' ' ' ASP . 28.3 m -36.66 -48.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.95 -44.57 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' SER . 3.3 m-20 -65.12 -36.67 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.87 -39.26 83.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.27 -42.24 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.53 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.569 ' CE2' HD11 ' A' ' 14' ' ' LEU . 28.2 m95 -65.47 -47.42 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.642 ' HD2' HG21 ' A' ' 63' ' ' THR . 37.5 tttp -52.95 -58.07 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -49.89 -48.04 51.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.3 m -58.46 -41.54 85.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.65 -43.55 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.54 -14.44 51.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.93 -42.71 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 p -56.47 -20.29 19.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 4.4 mtm105 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.94 0.4 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.96 -60.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 11' ' ' SER . 49.2 tttp -144.23 151.39 39.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 92.0 p -135.8 145.0 46.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.35 32.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.736 ' O ' HD23 ' A' ' 14' ' ' LEU . 66.0 m95 -82.83 137.84 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 13' ' ' TRP . 34.6 mt -151.58 143.62 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 26' ' ' LYS . 10.7 mt -90.86 139.33 30.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -124.37 133.2 53.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.6 110.03 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -82.18 157.11 24.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -81.71 -55.43 4.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.08 -57.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.3 -38.59 91.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 61.07 46.42 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -157.15 158.18 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -77.16 112.04 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -113.68 130.16 56.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 16.7 tttp -59.52 138.33 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -148.17 156.01 42.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.442 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 43.3 t-105 -95.69 113.65 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 49.5 m-85 -101.59 151.91 21.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.626 ' O ' HD12 ' A' ' 37' ' ' LEU . 6.1 m-20 -159.48 126.8 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 112' ' ' SER . 10.2 tp -95.13 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.845 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 10.9 m95 -100.54 163.96 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.7 p -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.81 16.21 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.55 -39.68 3.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -38.71 134.04 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 30' ' ' ASP . 23.6 tp -119.82 129.68 54.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.845 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 64.7 mt -134.51 126.08 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 142.35 46.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.718 ' CD2' HD13 ' A' ' 48' ' ' ILE . 1.1 m-85 -110.76 155.14 22.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.494 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 3.1 t0 -46.91 -39.7 12.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -175.07 177.02 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 1.0 OUTLIER -37.79 -27.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' ASP . 52.6 p -40.14 -30.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 43.75 30.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -123.26 -30.98 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 94.63 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.718 HD13 ' CD2' ' A' ' 40' ' ' TYR . 38.2 mm -64.54 120.45 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 11.3 mm-40 -75.15 -56.77 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -175.07 165.67 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 38' ' ' ILE . 25.8 ttmt -129.76 139.86 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -152.85 139.75 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.465 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.93 166.95 15.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.641 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.8 mmm -104.95 -70.49 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.79 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 69.0 t -123.15 -47.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.4 m-20 -92.24 -41.4 10.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.669 ' SG ' HG23 ' A' ' 84' ' ' ILE . 51.9 t -86.53 130.59 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -116.16 -24.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -146.14 153.32 40.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 54' ' ' MET . 87.8 mt -126.78 113.05 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.451 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 69.6 mtt180 -100.1 118.11 35.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.431 HG23 HG22 ' A' ' 61' ' ' ILE . 40.0 p -140.95 137.31 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.12 -104.02 2.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -96.13 36.84 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 20.2 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HD3' HD11 ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.72 148.19 64.79 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 74' ' ' ASP . 53.9 Cg_endo -69.75 131.27 20.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 27.7 t70 -36.35 112.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.06 -39.87 2.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -87.22 142.41 33.52 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -167.07 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -100.19 -38.68 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.46 -17.34 53.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -88.43 11.87 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.446 HD11 ' HD3' ' A' ' 72' ' ' PRO . 69.3 mt -91.64 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD21 HD11 ' A' ' 109' ' ' LEU . 3.0 tp -125.95 132.17 52.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.401 ' HG2' ' CG2' ' A' ' 91' ' ' THR . 21.9 tt0 -135.75 137.21 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.669 HG23 ' SG ' ' A' ' 58' ' ' CYS . 20.5 mm -116.73 101.31 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.12 108.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.45 155.41 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 40.9 mtt180 -51.07 178.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.5 t70 54.63 45.58 26.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 48.11 34.8 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -98.8 158.42 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.401 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 61.0 m -158.16 138.91 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.73 130.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.477 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.5 m -95.96 123.38 39.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 93' ' ' SER . 19.2 mt -136.47 156.26 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 8.9 t -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 152.79 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -48.56 -48.05 38.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 t -148.53 164.66 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -40.31 -50.69 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -51.76 -54.63 26.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -44.95 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 39.9 t -59.25 -62.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.632 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 17.0 mt -44.75 -56.06 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.66 -59.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.483 ' CE2' HD11 ' A' ' 14' ' ' LEU . 39.1 m95 -58.72 -44.92 90.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -53.08 -52.47 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.632 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 26.6 m-85 -52.21 -52.39 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -58.66 -48.26 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 82' ' ' LEU . 25.9 mt -58.51 -44.89 89.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -60.44 -18.72 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -94.31 -53.92 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.541 ' HB3' HD21 ' A' ' 31' ' ' LEU . 87.9 p -48.35 -38.35 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -55.77 -58.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -142.34 136.86 30.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.443 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 73.3 p -129.2 128.79 44.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.61 175.23 37.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.716 ' O ' HD23 ' A' ' 14' ' ' LEU . 72.1 m95 -92.46 131.2 37.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 ' NE1' ' A' ' 105' ' ' TRP . 24.8 mt -148.42 147.75 29.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mt -83.4 155.74 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -145.78 126.77 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.79 108.06 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.17 173.23 11.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 p -109.61 0.99 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -112.48 -39.21 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -99.98 -7.35 25.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 39.46 48.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.4 148.64 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -68.55 111.73 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -114.51 129.2 56.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 5.9 ttpp -60.54 129.87 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 64.1 t-105 -112.21 111.65 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.477 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 65.0 m-85 -99.02 155.61 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.8 m-20 -156.78 112.66 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -88.71 139.83 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.633 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -93.5 175.03 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -76.77 -29.13 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.03 -2.89 56.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.59 -24.55 28.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.435 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -56.08 135.1 53.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 30' ' ' ASP . 28.7 tp -118.01 130.34 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.633 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 21.0 mt -133.03 127.32 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -114.48 155.75 25.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 32.6 m-85 -123.64 172.1 9.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.42 -46.5 48.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -139.62 179.8 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -59.85 -28.73 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 p -56.77 -21.07 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 55.1 mtm180 47.22 43.14 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.37 -23.07 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.25 93.35 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.2 mt -60.01 108.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.99 -60.49 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.556 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -171.67 164.32 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -126.84 135.35 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.4 t -151.04 140.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.486 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.7 167.65 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.632 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -104.3 -70.62 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.486 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 24.4 t -122.05 -45.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.0 OUTLIER -94.3 -42.3 8.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.563 ' SG ' HG23 ' A' ' 84' ' ' ILE . 27.6 t -85.65 133.3 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.06 -25.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -147.73 157.66 43.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.922 HD12 ' OE1' ' A' ' 110' ' ' GLN . 34.8 mt -129.67 110.81 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -95.41 127.21 41.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.574 ' CG2' HD12 ' A' ' 82' ' ' LEU . 68.2 p -140.73 150.04 42.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.29 -114.86 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -80.47 -24.43 39.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.6 65.5 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.353 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.06 141.58 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.8 47.94 51.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -150.02 122.83 4.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.99 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -97.97 -26.34 14.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.479 ' HB2' HG23 ' A' ' 99' ' ' THR . 0.1 OUTLIER -62.76 -19.05 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 28.0 p -96.03 15.69 19.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.73 132.51 44.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.574 HD12 ' CG2' ' A' ' 63' ' ' THR . 6.1 tp -131.01 137.93 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.654 ' OE1' HG21 ' A' ' 91' ' ' THR . 7.9 tt0 -134.9 163.82 28.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 83' ' ' GLN . 6.6 mm -141.32 111.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.0 124.5 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 30.1 m -89.23 174.57 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.0 -64.36 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -61.86 -48.43 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 161.85 -30.57 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' GLY . 65.8 tttt -34.34 103.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.654 HG21 ' OE1' ' A' ' 83' ' ' GLN . 88.2 m -101.59 134.83 44.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.5 mt -107.35 123.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 m -94.48 122.95 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.477 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 56.9 mt -131.29 163.37 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 t -146.57 138.55 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.847 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -98.79 165.62 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -69.09 -44.21 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' ASP . 64.6 m -147.24 153.81 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 79' ' ' ASP . 5.2 m -36.86 -39.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.27 -48.47 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.847 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 3.6 t70 -60.62 -42.21 96.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.6 t -63.87 -48.99 74.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 11.3 mt -58.28 -46.49 85.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.89 -53.52 51.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.785 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.2 m95 -60.77 -57.16 13.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -43.75 -47.4 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.0 m-85 -63.2 -49.09 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 m -58.27 -36.43 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.44 -43.01 61.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.922 ' OE1' HD12 ' A' ' 61' ' ' ILE . 15.0 mm100 -63.44 -22.17 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -86.11 -41.48 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.4 p -58.94 -13.44 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 13.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -52.26 -61.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 52.7 tttp -135.16 148.46 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.0 p -144.4 133.89 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.25 162.98 36.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.75 ' O ' HD23 ' A' ' 14' ' ' LEU . 50.2 m95 -78.42 130.49 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.89 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.6 mt -150.21 149.43 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.479 HD23 ' HD3' ' A' ' 26' ' ' LYS . 5.8 mt -89.27 154.92 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttp85 -141.72 129.63 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -91.55 106.76 18.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 177.6 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -98.83 -14.67 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 20' ' ' ILE . 4.0 mp -98.67 -37.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 21' ' ' LEU . 5.7 mp -86.46 -14.58 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt 38.62 48.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -165.24 165.3 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CZ3' ' O ' ' A' ' 93' ' ' SER . 94.6 m95 -81.37 119.67 23.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -121.46 134.93 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HD3' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -69.2 135.54 50.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -144.89 171.6 14.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CD1' ' OD2' ' A' ' 30' ' ' ASP . 69.5 t-105 -110.05 120.89 43.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.691 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 34.8 m-85 -106.46 150.01 26.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 57.2 m-20 -152.63 115.31 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -86.59 144.25 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -97.82 166.81 11.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -70.1 -28.18 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.09 2.18 44.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 -21.83 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -56.44 134.22 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -117.19 129.72 56.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.08 127.81 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -115.41 151.39 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CE2' HG12 ' A' ' 48' ' ' ILE . 41.9 m-85 -112.98 173.91 6.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 25.4 t70 -66.15 -38.68 88.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 57.1 m-20 -165.08 -178.74 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -41.42 -28.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.5 p -42.87 -35.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 9.8 mtm180 48.18 27.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -116.39 -32.49 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -99.77 77.14 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.499 HG12 ' CE2' ' A' ' 40' ' ' TYR . 66.2 mt -49.21 124.83 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.07 -60.48 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -155.39 178.83 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -144.74 133.8 22.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 t -152.73 140.56 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.468 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.93 166.77 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.816 ' HE1' HD11 ' A' ' 61' ' ' ILE . 27.1 mmm -102.67 -69.85 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.3 Cg_endo -69.81 3.7 2.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.468 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -121.52 -52.87 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.0 m-20 -86.48 -54.86 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.482 ' SG ' HG23 ' A' ' 84' ' ' ILE . 17.6 t -67.55 112.16 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.0 pt -90.62 -31.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -145.59 157.31 43.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.816 HD11 ' HE1' ' A' ' 54' ' ' MET . 59.2 mt -127.76 116.07 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -111.81 140.64 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.745 HG22 HD12 ' A' ' 82' ' ' LEU . 18.1 p -129.91 145.25 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.48 -129.42 49.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -57.16 -42.87 81.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.52 63.21 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.49 21.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.25 111.02 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.44 2.8 22.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -138.93 136.07 18.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.67 -19.78 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -28.88 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -88.1 21.38 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 mt -94.22 137.38 33.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.745 HD12 HG22 ' A' ' 63' ' ' THR . 4.3 tp -136.99 121.83 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -120.95 144.08 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.482 HG23 ' SG ' ' A' ' 58' ' ' CYS . 5.3 mm -119.26 101.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.8 t -73.12 111.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 88' ' ' ASP . 1.8 m -72.83 -174.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ASP . 59.8 mtp85 -62.61 74.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' CYS . 0.4 OUTLIER 33.36 53.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.15 -37.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -137.05 173.58 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.2 m -160.09 132.58 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.8 mt -108.89 131.23 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 24' ' ' TRP . 7.9 m -105.23 99.01 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.691 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.5 mt -101.56 154.93 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -138.37 115.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.81 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -75.0 163.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.28 -42.79 87.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -147.28 166.79 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -52.15 -34.63 45.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -46.06 91.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.81 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.4 t0 -63.47 -52.35 61.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.5 t -49.95 -53.51 25.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 14.8 mt -53.12 -45.25 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.45 -52.95 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.89 ' NE1' HD11 ' A' ' 14' ' ' LEU . 30.9 m95 -60.0 -47.38 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 63' ' ' THR . 38.9 tttm -57.17 -47.41 81.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.0 m-85 -59.28 -42.14 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.7 m -64.95 -51.84 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.628 HD22 ' SD ' ' A' ' 54' ' ' MET . 20.1 mt -57.83 -44.61 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -68.68 -19.6 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.32 -25.09 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 p -84.18 -27.28 28.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 113' ' ' ARG . 1.2 ptm85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.7 -61.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 35.5 tttp -141.32 143.14 33.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -132.08 134.53 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.803 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.426 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.68 169.86 40.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.786 ' O ' HD23 ' A' ' 14' ' ' LEU . 52.9 m95 -87.78 131.32 34.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.2 mt -146.21 141.45 27.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 26' ' ' LYS . 6.8 mt -82.56 153.55 25.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' NH1' ' OD1' ' A' ' 27' ' ' ASN . 10.5 ttp-105 -141.35 125.21 17.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -83.04 100.2 10.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -67.28 164.68 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 p -85.31 -42.53 14.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.42 -47.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 mt -77.28 -29.26 53.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 52.15 41.41 30.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -147.43 155.29 41.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -76.72 108.13 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -111.27 138.9 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 23.9 tttt -67.51 134.07 50.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' NH1' ' A' ' 16' ' ' ARG . 33.8 m120 -141.92 160.96 39.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.426 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 55.0 t-105 -106.38 113.3 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CZ ' ' CD2' ' A' ' 94' ' ' LEU . 74.5 m-85 -100.93 160.33 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 7.7 m-20 -162.84 116.01 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -86.95 143.74 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.626 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.1 m0 -97.12 163.96 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.0 p -66.15 -32.08 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.07 -15.38 59.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.44 -35.37 4.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -46.84 136.87 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.4 tp -116.81 130.07 56.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.626 HD12 ' CE2' ' A' ' 32' ' ' TRP . 28.2 mt -133.91 147.11 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -136.29 156.81 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 80.5 m-85 -119.82 163.78 16.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.81 -30.53 69.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -155.01 -179.4 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -63.17 -23.26 67.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p -64.08 -20.86 66.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 85.7 mtt180 47.43 34.12 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.96 -23.08 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -129.83 105.91 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.401 HG12 ' CE2' ' A' ' 40' ' ' TYR . 94.8 mt -66.23 105.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.25 -58.24 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.521 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 16.9 t70 -170.72 168.82 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -135.59 132.83 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.61 150.6 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.661 ' CD2' ' HB ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -94.43 167.43 11.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.653 ' HE1' HD11 ' A' ' 61' ' ' ILE . 25.4 mmm -103.61 -70.19 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.556 0.694 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.3 Cg_endo -69.71 2.51 3.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.661 ' HB ' ' CD2' ' A' ' 53' ' ' HIS . 8.9 t -121.05 -49.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 5.3 m-20 -89.71 -55.54 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.726 ' SG ' HG23 ' A' ' 84' ' ' ILE . 36.6 t -66.65 117.47 8.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.424 HG12 ' C ' ' A' ' 86' ' ' CYS . 12.4 pt -101.93 -27.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -138.73 159.25 42.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 ' HE1' ' A' ' 54' ' ' MET . 95.9 mt -133.89 115.19 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.428 ' NE ' ' OE1' ' A' ' 83' ' ' GLN . 17.5 mtm180 -103.22 118.64 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.796 ' CG2' HD12 ' A' ' 82' ' ' LEU . 11.9 p -145.02 131.29 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.87 95.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 47.39 26.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.409 ' HB2' ' N ' ' A' ' 63' ' ' THR . 18.2 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.602 0.715 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 145.95 59.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.372 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -178.71 2.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.45 126.18 31.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 10.46 61.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -135.46 132.07 19.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -102.12 -9.69 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -25.39 40.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.8 p -84.83 11.43 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.47 130.68 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.796 HD12 ' CG2' ' A' ' 63' ' ' THR . 6.1 tp -128.77 118.15 22.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.536 ' O ' HD13 ' A' ' 84' ' ' ILE . 16.2 tt0 -120.95 153.94 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.726 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.5 mm -137.33 108.93 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.9 t -93.83 131.89 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.424 ' C ' HG12 ' A' ' 59' ' ' ILE . 1.3 p -89.9 -177.47 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -59.03 -70.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -43.97 -67.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 178.82 -26.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' GLY . 15.1 tttp -33.8 142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.414 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 37.6 m -139.46 131.86 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.2 mt -107.51 117.08 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.36 113.59 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -120.99 158.04 28.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.2 t -143.43 132.57 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.695 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -96.61 159.43 14.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.89 -41.0 90.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' THR . 8.3 t -152.26 157.42 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' SER . 3.7 m -36.73 -46.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.35 -50.5 62.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.695 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 1.8 m-20 -57.14 -42.74 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.494 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 17.9 mt -60.81 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -43.77 -54.81 4.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.616 ' NE1' HD11 ' A' ' 14' ' ' LEU . 29.8 m95 -59.45 -51.62 69.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -49.81 -60.19 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.494 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 29.8 m-85 -48.76 -48.81 40.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -55.75 -45.9 77.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 54' ' ' MET . 29.7 mt -65.2 -59.27 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.47 ' OE1' ' CZ ' ' A' ' 113' ' ' ARG . 23.2 mm-40 -49.41 -30.88 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -79.77 -43.6 22.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -56.59 -31.52 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CZ ' ' OE1' ' A' ' 110' ' ' GLN . 71.8 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.57 -58.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -139.59 132.13 28.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.434 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 88.0 p -126.67 132.45 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.79 165.71 38.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.653 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.2 m95 -82.54 139.54 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.712 HD11 ' NE1' ' A' ' 105' ' ' TRP . 16.6 mt -154.14 149.95 27.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 5.3 mt -90.87 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -126.87 134.47 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -92.01 102.32 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -80.3 174.49 11.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -90.84 -45.82 8.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 mm -64.48 -57.74 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.19 -38.46 75.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp 59.56 41.05 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -148.51 164.37 34.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -80.13 102.65 9.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -104.58 134.76 47.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 5.5 tptp -68.19 132.62 47.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -140.97 173.69 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 56.0 t-105 -114.87 112.81 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 80.2 m-85 -98.26 150.48 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -154.08 112.26 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.12 144.11 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.583 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.6 m95 -97.87 167.07 11.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -71.18 -28.19 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -83.92 -2.42 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 -28.06 16.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -53.94 135.76 42.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.3 tp -118.24 129.77 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.583 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 43.4 mt -136.08 126.27 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -113.2 162.02 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -128.04 179.85 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 -40.12 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -155.47 -177.81 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -32.43 43.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -46.08 -37.48 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 58.85 34.82 23.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -100.88 -28.19 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -110.89 103.06 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.42 97.64 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -48.49 -59.53 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -168.45 -178.46 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HE2' HD11 ' A' ' 38' ' ' ILE . 19.1 ttmt -142.45 136.57 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.508 HG13 ' OD2' ' A' ' 57' ' ' ASP . 23.0 t -152.71 138.41 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.475 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -84.25 167.2 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.638 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.4 mmm -102.34 -70.33 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.78 2.45 3.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 8.0 t -121.91 -47.89 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' OD2' HG13 ' A' ' 52' ' ' VAL . 2.3 t70 -88.45 -50.22 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.519 ' SG ' HG23 ' A' ' 84' ' ' ILE . 48.1 t -76.76 117.38 18.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 pt -93.52 -25.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -151.76 165.49 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.46 HD11 ' HE1' ' A' ' 54' ' ' MET . 32.0 mt -133.61 130.84 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.425 ' HD2' ' CG2' ' A' ' 85' ' ' VAL . 11.4 mtp180 -122.71 150.88 42.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.919 HG22 HD12 ' A' ' 82' ' ' LEU . 21.6 p -145.01 147.57 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.16 -124.66 17.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -80.0 -25.05 40.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HD3' ' NH1' ' A' ' 78' ' ' ARG . 54.1 Cg_endo -69.78 155.32 66.15 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.631 2.221 . . . . 0.0 112.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -40.05 128.08 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.1 -30.72 9.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -98.06 143.74 26.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -166.14 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HD3' HD12 ' A' ' 81' ' ' LEU . 13.6 tpp180 -99.68 -42.81 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.62 -12.84 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.17 9.97 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.481 HD12 ' HD3' ' A' ' 78' ' ' ARG . 13.1 mt -92.55 142.93 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.919 HD12 HG22 ' A' ' 63' ' ' THR . 5.3 tp -137.59 134.66 35.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -133.59 135.81 44.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.519 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.1 mm -112.4 107.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.425 ' CG2' ' HD2' ' A' ' 62' ' ' ARG . 61.6 t -75.46 114.63 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.64 153.72 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -58.18 179.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.05 34.58 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 53.07 34.38 46.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -108.86 145.59 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.44 ' N ' ' HD2' ' A' ' 90' ' ' LYS . 89.1 m -141.41 154.41 45.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 91' ' ' THR . 60.7 mt -124.92 117.67 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -83.94 123.26 29.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 42.7 mt -131.55 156.06 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 47.1 t -141.39 132.02 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.22 153.54 17.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -52.3 -53.98 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.0 p -140.13 162.93 34.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -43.71 -46.03 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -54.32 -46.1 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.28 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.02 -49.36 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.15 -45.26 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -57.0 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.712 ' NE1' HD11 ' A' ' 14' ' ' LEU . 24.5 m95 -55.0 -46.68 75.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HD2' HG21 ' A' ' 63' ' ' THR . 47.2 tttt -56.81 -51.36 69.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -55.53 -43.8 76.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.9 m -66.68 -44.3 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.42 HD11 HD21 ' A' ' 82' ' ' LEU . 19.9 mt -61.3 -49.13 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -48.51 -49.48 35.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 113' ' ' ARG . 4.0 t70 -61.25 -57.69 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.6 m -35.28 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 111' ' ' ASP . 75.0 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -49.14 -61.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -141.12 139.43 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . 84.8 p -133.84 129.82 37.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.96 175.87 35.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.861 ' O ' HD23 ' A' ' 14' ' ' LEU . 32.9 m95 -91.94 127.95 37.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.2 mt -144.78 152.19 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.77 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -137.92 116.8 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -84.39 113.7 21.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -96.52 156.9 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -82.22 -20.82 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.57 -44.52 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -85.81 -16.97 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 40.01 52.14 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -164.33 159.63 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 96.6 m95 -85.1 111.49 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -113.91 132.65 55.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -59.39 133.33 56.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -139.93 155.63 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.415 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 70.1 t-105 -105.17 112.47 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.659 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 87.5 m-85 -101.52 156.03 17.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.5 m-20 -157.74 115.61 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 37' ' ' LEU . 9.2 tp -86.27 141.24 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.4 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 12.9 m95 -95.99 168.45 10.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -73.37 -24.44 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.38 -2.78 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.05 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 7.8 m80 -48.67 134.74 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HB2' HD12 ' A' ' 31' ' ' LEU . 21.1 tp -118.4 129.7 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.4 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 60.6 mt -131.99 134.44 59.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -123.84 150.67 44.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -114.7 170.6 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.2 -37.18 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -147.15 172.01 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -18.11 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -67.95 -20.17 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 52.55 30.7 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -90.21 -35.09 15.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -108.69 96.58 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.59 102.11 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.84 -60.66 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 21.3 t70 -171.8 176.7 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -141.07 133.05 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.3 t -150.33 140.72 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.469 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -84.16 167.23 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.1 mmm -102.85 -70.16 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.71 2.69 3.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.1 t -121.85 -48.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 m-20 -91.9 -49.96 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.619 ' SG ' HG23 ' A' ' 84' ' ' ILE . 53.7 t -73.02 117.52 14.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.0 pt -99.13 -29.71 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -138.7 165.73 26.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.4 mt -136.35 109.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HE ' HG21 ' A' ' 85' ' ' VAL . 58.1 mtt180 -102.2 143.94 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.773 HG22 HD12 ' A' ' 82' ' ' LEU . 7.7 p -140.76 131.35 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -125.37 12.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.589 ' CE1' ' NE ' ' A' ' 78' ' ' ARG . 33.3 m-70 -60.23 -48.84 80.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 156.31 63.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -166.1 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.59 138.94 31.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.89 33.96 87.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -147.46 134.87 10.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 65' ' ' HIS . 15.5 ttp180 -104.26 -28.0 11.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.0 -16.32 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.04 10.52 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.7 mt -86.47 141.7 28.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.773 HD12 HG22 ' A' ' 63' ' ' THR . 5.5 tp -139.19 117.81 12.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.457 ' OE1' HG21 ' A' ' 91' ' ' THR . 16.0 tt0 -118.03 147.19 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.619 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.1 mm -126.78 119.12 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.445 HG21 ' HE ' ' A' ' 62' ' ' ARG . 10.3 t -98.34 133.5 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.8 -179.53 5.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -57.09 -73.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -45.19 -70.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.38 -28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' GLY . 32.4 tttt -33.78 128.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.457 HG21 ' OE1' ' A' ' 83' ' ' GLN . 89.9 m -124.97 130.53 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.7 mt -104.57 125.86 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 m -97.99 113.29 25.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.659 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -118.71 157.4 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.525 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 36.7 t -139.23 133.21 31.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.821 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -93.74 161.8 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.22 -38.17 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' ASP . 49.4 m -156.21 154.59 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.0 m -38.68 -45.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -54.27 -44.04 71.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.821 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.1 t70 -63.97 -53.76 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 53.1 t -51.18 -54.35 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.8 mt -48.5 -43.1 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -52.54 64.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.823 ' NE1' HD11 ' A' ' 14' ' ' LEU . 29.8 m95 -59.19 -46.88 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HD2' HG21 ' A' ' 63' ' ' THR . 25.6 tttm -55.53 -61.85 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 26.4 m-85 -45.97 -40.35 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -64.65 -49.76 69.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 82' ' ' LEU . 11.1 mt -61.98 -44.06 97.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.68 -22.15 56.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -94.99 -38.36 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.8 p -63.47 -19.51 64.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 113' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.936 0.398 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -53.4 -60.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -139.79 144.87 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 13.0 p -138.2 131.23 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -162.33 166.8 36.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 79.1 m95 -83.66 126.33 32.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.699 HD11 ' NE1' ' A' ' 105' ' ' TRP . 19.0 mt -139.07 144.83 38.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 26' ' ' LYS . 6.5 mt -93.67 122.28 35.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 19.6 ttp-105 -110.77 125.67 53.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -69.99 112.7 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -88.54 132.97 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.415 ' CG2' HD12 ' A' ' 20' ' ' ILE . 10.3 t -72.75 -19.95 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 19' ' ' THR . 4.3 mp -86.66 -41.24 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt -93.88 -7.08 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp 39.18 53.16 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -170.4 148.28 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 83.3 m95 -66.86 121.9 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -122.43 131.19 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.661 ' HA ' HD23 ' A' ' 15' ' ' LEU . 10.1 ttpt -58.88 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' CB ' HH12 ' A' ' 16' ' ' ARG . 30.8 m120 -141.84 171.59 13.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.424 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 45.1 t-105 -116.66 114.12 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 41.2 m-85 -99.38 148.77 23.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -151.01 115.3 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -89.01 145.45 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -99.43 168.23 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -70.26 -32.78 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.67 1.94 31.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 -31.59 8.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -46.98 134.49 10.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.531 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 23.7 mt -136.82 127.34 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 1.5 p90 -116.37 147.94 41.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.507 ' CG ' ' HA ' ' A' ' 45' ' ' ARG . 72.2 m-85 -110.56 174.85 5.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.486 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 12.1 t70 -73.27 -31.77 64.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-20 -163.0 -174.98 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -55.84 -13.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -57.39 -23.64 50.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.507 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 50.2 mtt180 39.19 36.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -122.11 -32.1 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -95.97 79.2 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -49.71 101.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 18.1 mm-40 -62.33 -49.03 77.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 5.2 t70 -172.86 176.28 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . 12.4 ttpp -144.95 140.28 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' LYS . 18.5 t -158.56 135.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.467 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -80.64 166.83 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.819 ' HE1' HD11 ' A' ' 61' ' ' ILE . 28.0 mmm -101.68 -70.26 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.74 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 4.1 t -122.3 -48.5 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CB ' HG13 ' A' ' 52' ' ' VAL . 3.4 t0 -87.52 -50.15 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.9 149.61 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 pt -125.72 -33.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -142.12 147.47 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.819 HD11 ' HE1' ' A' ' 54' ' ' MET . 62.0 mt -118.56 126.95 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.535 ' NH1' HG22 ' A' ' 85' ' ' VAL . 7.8 mtt85 -115.32 153.19 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.563 HG22 HD12 ' A' ' 82' ' ' LEU . 17.6 p -145.38 133.73 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.51 -134.58 26.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -55.87 -41.41 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.637 0.732 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 148.89 65.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.7 153.22 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.78 23.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -141.24 129.0 12.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -173.01 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.353 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -109.79 19.67 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -113.25 -15.01 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.89 7.64 45.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.59 145.9 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 63' ' ' THR . 5.6 tp -139.42 125.65 20.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.436 ' OE1' HG21 ' A' ' 91' ' ' THR . 10.8 tt0 -123.49 151.37 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 mm -125.84 108.51 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.535 HG22 ' NH1' ' A' ' 62' ' ' ARG . 58.1 t -78.68 112.93 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.5 164.68 21.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -53.72 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.05 31.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -91.31 102.71 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.436 HG21 ' OE1' ' A' ' 83' ' ' GLN . 25.4 m -94.14 119.24 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.5 mt -105.69 116.85 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.1 m -85.71 120.98 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.615 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 40.9 mt -123.73 157.89 32.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.524 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 4.9 t -137.26 138.98 40.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -106.62 145.62 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -38.35 -53.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -142.49 179.48 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -55.17 -50.84 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.93 -46.83 61.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.543 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -55.86 -53.29 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 47.4 t -53.74 -58.24 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.1 mt -47.61 -43.96 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.81 -49.81 75.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.699 ' NE1' HD11 ' A' ' 14' ' ' LEU . 18.3 m95 -60.56 -52.45 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.41 ' HD2' HG21 ' A' ' 63' ' ' THR . 27.0 tttp -51.1 -57.81 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -52.02 -45.6 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.7 m -57.56 -55.48 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.458 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 20.4 mt -54.62 -49.54 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -50.92 -32.29 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -81.37 -49.47 10.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.0 p -49.46 -28.68 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 15.3 mtp-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.1 t -47.66 -60.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -141.02 146.78 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.1 p -139.11 132.0 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.806 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.42 171.14 39.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.591 ' O ' HD23 ' A' ' 14' ' ' LEU . 60.0 m95 -87.28 127.35 35.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 ' NE1' ' A' ' 105' ' ' TRP . 23.1 mt -143.91 148.02 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 26' ' ' LYS . 5.0 mt -91.03 146.39 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -134.66 136.03 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -87.42 111.43 21.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.3 t -86.1 153.77 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -76.96 -32.76 57.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -78.88 -58.92 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.24 -26.37 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mttp 49.89 49.89 19.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -164.39 154.74 14.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -73.92 116.42 14.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -123.12 125.05 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.9 134.3 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.79 155.68 44.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -104.82 111.85 24.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.548 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 77.3 m-85 -99.18 152.03 20.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -153.95 112.19 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -84.84 140.17 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.47 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.7 m95 -94.15 169.66 10.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -71.91 -29.79 64.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -5.36 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.23 -30.47 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -52.1 136.39 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.1 tp -117.85 130.49 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.47 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 47.8 mt -135.53 129.82 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.7 152.81 33.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.98 176.14 5.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -77.36 -41.1 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 p30 -144.9 -177.21 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -65.97 -14.92 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -71.55 -15.99 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 46.06 41.48 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -102.31 -19.18 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -125.52 98.54 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -67.6 103.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -51.69 -56.79 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 14.6 t70 -173.17 174.71 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.61 135.49 40.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.43 143.36 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.48 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.29 167.53 14.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.64 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.5 mmm -106.39 -70.21 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.552 0.691 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.83 3.46 2.79 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 41.6 t -120.57 -49.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.7 m-20 -90.94 -47.02 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.636 ' SG ' HG23 ' A' ' 84' ' ' ILE . 34.4 t -78.55 119.9 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.6 pt -100.85 -31.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -143.45 171.41 14.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -137.19 106.27 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 mtt85 -93.05 119.61 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.757 ' CG2' HD12 ' A' ' 82' ' ' LEU . 40.2 p -136.52 138.67 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 -115.21 4.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.57 35.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.86 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 145.59 57.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.484 ' CG ' ' SG ' ' A' ' 95' ' ' CYS . 53.4 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -45.58 119.4 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.92 38.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -133.3 143.61 48.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.58 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -104.57 5.37 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -97.94 -9.92 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -99.23 2.82 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 81' ' ' LEU . 20.6 mt -73.19 130.94 41.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.757 HD12 ' CG2' ' A' ' 63' ' ' THR . 5.3 tp -131.02 117.98 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.587 ' OE1' HG21 ' A' ' 91' ' ' THR . 8.9 tt0 -118.89 131.38 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.636 HG23 ' SG ' ' A' ' 58' ' ' CYS . 24.5 mm -103.18 90.55 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.74 109.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ARG . 12.1 m -92.03 170.56 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' ASP . 29.6 mtm180 -35.88 136.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' ARG . 2.4 t0 -34.39 100.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.4 22.25 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -174.4 143.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.587 HG21 ' OE1' ' A' ' 83' ' ' GLN . 56.1 m -157.98 132.77 8.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.9 mt -104.38 138.72 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.13 120.44 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.526 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 33.9 mt -125.5 155.15 41.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.484 ' SG ' ' CG ' ' A' ' 73' ' ' PRO . 50.0 t -140.09 113.42 8.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 102' ' ' CYS . . . -78.16 153.4 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -54.38 -59.21 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -129.81 155.56 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.3 m -39.97 -49.87 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -52.79 -46.23 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.35 -44.15 88.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 42.6 t -62.65 -55.16 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 12.0 mt -51.13 -38.92 54.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.63 -50.97 71.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.738 ' NE1' HD11 ' A' ' 14' ' ' LEU . 40.4 m95 -64.19 -54.24 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -42.81 -51.33 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.4 m-85 -53.13 -54.41 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 59.4 m -54.84 -51.31 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.519 HD11 HD21 ' A' ' 82' ' ' LEU . 18.5 mt -54.87 -44.17 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -59.98 -41.82 92.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -79.85 -19.84 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.3 p -78.76 -31.68 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -71.55 161.6 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -47.74 -55.84 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.52 -44.92 1.34 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -128.9 141.27 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -121.41 136.46 54.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.17 134.86 12.01 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -90.87 138.38 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.26 -56.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -145.8 121.08 10.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 62.5 p -115.78 131.66 56.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.78 179.8 39.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.847 ' O ' HD23 ' A' ' 14' ' ' LEU . 68.7 m95 -97.1 137.2 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 13' ' ' TRP . 37.3 mt -150.2 146.89 27.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD12 ' HB3' ' A' ' 95' ' ' CYS . 6.2 mt -80.96 154.69 26.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -144.54 124.18 13.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.51 103.71 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 t -76.42 160.92 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.6 m -85.1 -20.79 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.94 -36.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.7 mt -89.78 -12.28 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.2 mttt 36.11 42.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -156.14 167.03 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -83.4 124.15 30.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -126.2 128.33 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 121.7 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -126.46 176.8 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 69.8 t-105 -118.35 110.38 17.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 36.9 m-85 -98.93 156.55 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 5.7 m-20 -159.07 112.57 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 tp -87.18 138.31 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.427 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.0 m0 -91.37 172.01 8.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -73.08 -28.28 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.07 5.46 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.75 -36.91 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -43.65 137.52 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.7 tp -120.74 130.78 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.427 HD12 ' CE2' ' A' ' 32' ' ' TRP . 47.1 mt -136.67 132.98 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -119.11 149.76 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 50.9 m-85 -113.77 -179.42 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.53 -35.67 34.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.49 179.78 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -55.71 -21.3 17.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.9 p -61.03 -30.93 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.494 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 19.6 mtm180 57.32 38.83 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -103.81 -39.49 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -97.39 82.07 3.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.67 95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.99 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -166.5 177.36 6.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -139.47 132.52 29.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 57' ' ' ASP . 21.6 t -147.26 148.59 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.9 166.49 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.721 ' SD ' HD22 ' A' ' 109' ' ' LEU . 25.9 mmm -101.45 -69.9 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.79 3.27 2.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -122.19 -50.38 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.467 ' CB ' HG13 ' A' ' 52' ' ' VAL . 2.8 t70 -85.59 -45.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.653 ' SG ' HG23 ' A' ' 84' ' ' ILE . 18.7 t -86.24 132.72 33.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 87' ' ' ARG . 28.5 pt -110.39 -34.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -134.87 155.33 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.583 HD11 ' HE1' ' A' ' 54' ' ' MET . 35.4 mt -129.82 114.3 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -110.54 147.45 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.75 HG22 HD12 ' A' ' 82' ' ' LEU . 47.5 p -140.69 131.35 25.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.32 -140.74 21.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 71.7 m80 -59.86 -26.05 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -58.79 -40.39 83.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.8 m -56.09 176.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.533 ' HB3' HG23 ' A' ' 70' ' ' ILE . 11.0 ttt180 -51.17 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -80.64 39.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 68' ' ' ARG . 1.5 pt -83.63 -174.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 70' ' ' ILE . 10.1 pt20 -145.31 141.67 17.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.657 0.742 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.29 57.48 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -174.85 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.4 147.11 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.37 40.97 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -149.91 137.56 11.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -164.6 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.579 ' HD3' ' CD2' ' A' ' 65' ' ' HIS . 13.6 ttt180 -112.82 -31.02 6.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -22.03 66.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.47 6.74 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.88 143.61 28.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.75 HD12 HG22 ' A' ' 63' ' ' THR . 5.4 tp -139.84 118.44 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.472 ' O ' HD13 ' A' ' 84' ' ' ILE . 13.4 tt0 -115.49 156.09 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.653 HG23 ' SG ' ' A' ' 58' ' ' CYS . 18.6 mm -131.03 108.07 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.8 t -81.5 111.1 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.21 171.84 14.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 59' ' ' ILE . 62.2 mtp180 -61.77 -73.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -44.6 -57.67 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.6 -26.49 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -38.17 132.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.4 m -128.69 123.22 32.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.2 mt -105.09 124.39 59.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 m -97.94 117.8 33.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -119.45 162.66 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.551 ' HB3' HD12 ' A' ' 15' ' ' LEU . 49.0 t -146.59 130.9 17.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.857 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -94.86 160.02 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -55.57 -43.45 75.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -152.86 159.58 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -40.05 -42.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -55.89 19.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.857 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.2 t70 -57.15 -45.49 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 54.0 t -57.78 -55.03 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -49.94 -49.28 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.54 -53.69 42.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.739 ' CE2' HD11 ' A' ' 14' ' ' LEU . 36.2 m95 -58.25 -58.61 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.438 ' HD2' HG21 ' A' ' 63' ' ' THR . 42.4 tttt -43.71 -56.97 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -56.61 -43.45 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m -56.86 -41.64 78.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.721 HD22 ' SD ' ' A' ' 54' ' ' MET . 11.3 mt -68.65 -52.68 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.559 HE22 ' NH2' ' A' ' 113' ' ' ARG . 6.4 mm100 -52.07 -19.82 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.87 -45.3 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.9 p -62.62 -11.68 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.559 ' NH2' HE22 ' A' ' 110' ' ' GLN . 51.2 mtm180 -67.7 -22.82 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.83 42.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.8 t -120.47 120.68 36.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 174.78 -80.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 118' ' ' SER . 54.2 Cg_endo -69.77 133.16 24.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.368 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 117' ' ' PRO . 22.8 t -37.38 140.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.6 t -109.25 -62.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.796 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -40.73 108.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -151.0 158.43 44.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.52 -151.36 49.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -111.28 -54.27 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -130.15 122.61 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' PHE . . . -91.18 92.9 1.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.6 m-85 -37.24 131.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -49.28 -59.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -144.6 142.45 30.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -138.02 136.31 36.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.58 165.28 37.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -77.92 125.46 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.774 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.3 mt -141.99 148.58 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -88.54 151.78 22.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NH1' ' CZ ' ' A' ' 39' ' ' TYR . 47.4 ttt180 -142.24 116.53 9.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.68 106.82 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 p -68.27 164.74 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -96.57 -18.58 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 21' ' ' LEU . 91.5 mt -94.6 -54.43 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 20' ' ' ILE . 11.1 mp -78.1 -13.38 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 46.42 39.35 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -142.81 160.29 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -77.46 115.14 16.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.62 132.09 56.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 124.24 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -133.25 154.81 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 53.5 t-105 -92.49 128.81 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 61.0 m-85 -116.44 148.27 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 3.6 m-20 -155.8 112.78 3.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 37' ' ' LEU . 8.3 tp -88.27 142.85 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.1 m0 -96.15 174.75 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -77.25 -30.11 54.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -7.22 57.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.21 -28.78 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -54.85 135.85 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HB2' HD12 ' A' ' 31' ' ' LEU . 20.4 tp -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 32' ' ' TRP . 47.3 mt -131.46 135.65 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.581 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -125.27 148.87 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 m-85 -118.03 164.71 14.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -66.36 -39.77 89.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p30 -144.22 -178.17 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.5 -28.87 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.2 p -58.43 -13.76 6.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 16.8 mtt85 42.75 41.15 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.34 -12.95 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -129.26 90.02 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.37 97.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -48.92 -68.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 5.9 m-20 -164.08 159.91 21.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.11 137.05 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.2 t -150.46 139.36 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.476 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -82.95 167.51 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -103.8 -70.39 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.78 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.476 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 13.2 t -122.52 -49.12 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.1 m-20 -90.49 -43.15 10.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.56 ' SG ' HG23 ' A' ' 84' ' ' ILE . 36.9 t -85.01 136.1 33.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -114.57 -30.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -140.25 170.69 15.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 54' ' ' MET . 80.3 mt -140.54 108.28 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -97.01 131.45 43.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.55 ' CG2' HD12 ' A' ' 82' ' ' LEU . 59.9 p -145.08 149.06 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.86 -124.86 7.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -88.36 15.56 7.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -87.64 -38.7 15.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.3 m -47.16 165.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -156.96 141.64 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 t70 71.72 28.53 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.435 HD13 ' NE2' ' A' ' 83' ' ' GLN . 5.0 pt -142.53 -177.79 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.15 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -155.17 138.54 10.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.405 ' HB3' HD11 ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.79 147.5 62.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.38 21.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -43.7 129.77 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 87.97 20.79 48.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 18.2 mmtp -146.58 139.58 14.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -164.37 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -102.91 -41.72 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -53.27 -17.71 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.0 p -91.5 15.36 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 72' ' ' PRO . 51.7 mt -99.3 131.59 45.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 109' ' ' LEU . 6.0 tp -127.02 130.49 50.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.435 ' NE2' HD13 ' A' ' 70' ' ' ILE . 15.7 tt0 -131.6 150.58 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.56 HG23 ' SG ' ' A' ' 58' ' ' CYS . 7.8 mm -125.52 117.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -86.53 120.98 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 49.4 m -89.18 175.42 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -72.39 -67.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.91 -60.47 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 33.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -101.9 102.83 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -92.31 126.62 37.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 72.5 mt -106.66 119.51 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -95.78 123.77 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.437 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -128.38 162.67 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.1 t -144.59 131.4 20.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -94.61 171.12 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.54 -35.21 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -158.89 161.55 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.5 m -42.78 -43.45 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -56.23 -44.79 79.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.546 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.2 m-20 -64.77 -51.56 61.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.1 t -55.75 -49.19 73.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.588 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 26.3 mt -58.01 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.34 -45.87 17.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.774 ' NE1' HD11 ' A' ' 14' ' ' LEU . 37.4 m95 -69.8 -41.81 74.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -58.59 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 15.1 m-85 -56.44 -45.64 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.7 m -65.66 -46.66 78.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.593 ' CD1' HD21 ' A' ' 82' ' ' LEU . 24.0 mt -62.58 -37.03 84.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -66.84 -27.65 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -94.14 -13.98 26.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.3 p -84.96 -24.22 28.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -80.25 -28.73 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.51 -62.2 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 m -87.32 87.86 7.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -125.96 -88.61 0.71 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.14 17.06 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.4 p -164.09 176.92 8.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.8 p -101.5 157.69 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -56.37 -54.87 40.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.826 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 38.3 m -119.62 90.76 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.39 65.69 0.34 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -129.29 120.15 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.37 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -53.24 -40.39 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.91 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.94 108.37 2.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -93.81 127.63 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.7 t -48.85 -60.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 41.9 tttp -148.61 128.85 13.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.487 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 62.4 p -118.23 133.1 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.94 177.91 40.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.688 ' O ' HD23 ' A' ' 14' ' ' LEU . 77.0 m95 -97.79 144.02 27.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' NE1' ' A' ' 105' ' ' TRP . 58.8 mt -155.6 147.51 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.56 122.13 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -111.46 126.49 55.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -75.25 129.53 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -91.83 159.37 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 p -100.74 5.69 43.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.0 -27.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.69 -5.69 15.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp 41.43 45.74 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -150.02 162.22 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -83.66 129.13 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 136.37 52.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.558 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.6 tttm -68.99 132.73 47.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -139.4 165.96 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.484 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 51.4 t-105 -111.23 110.01 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 74.0 m-85 -98.65 156.18 16.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.487 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 32.4 m-20 -158.77 112.87 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' VAL . 10.7 tp -88.35 139.67 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.403 ' NE1' HD12 ' A' ' 38' ' ' ILE . 10.0 m0 -92.45 155.02 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -54.95 -31.63 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.4 -24.25 60.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.24 -26.03 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -52.48 140.71 21.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 tp -118.16 130.02 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.503 HD11 ' HE2' ' A' ' 51' ' ' LYS . 57.1 mt -138.28 129.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -116.21 156.35 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 41.5 m-85 -123.57 172.5 8.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -75.23 -34.0 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.7 p30 -153.68 178.43 9.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -56.66 -34.02 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.0 p -56.89 -20.18 21.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.511 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 55.0 mtm180 45.59 40.17 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -100.3 -15.72 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -125.23 78.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.5 mt -48.19 120.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 11.1 mm-40 -72.02 -56.12 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.543 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -174.06 160.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HE2' HD11 ' A' ' 38' ' ' ILE . 18.6 ttmt -123.35 138.07 54.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG13 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -153.34 150.02 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -93.18 165.7 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.4 mmm -100.95 -69.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.84 3.86 2.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -123.19 -49.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.469 ' CB ' HG13 ' A' ' 52' ' ' VAL . 2.6 t0 -87.34 -49.99 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.699 ' SG ' HG23 ' A' ' 84' ' ' ILE . 47.0 t -75.39 117.83 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 87' ' ' ARG . 20.0 pt -99.84 -30.21 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -143.32 168.92 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.65 126.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -110.5 142.33 42.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.785 HG21 ' HD2' ' A' ' 106' ' ' LYS . 19.6 p -146.19 133.64 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.91 -131.66 10.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -85.45 29.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -99.33 -33.18 10.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.8 m -55.42 171.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 70' ' ' ILE . 12.8 tpt180 -152.98 150.45 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 4.7 m-20 63.95 25.04 13.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 68' ' ' ARG . 3.2 pt -143.7 172.95 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 70' ' ' ILE . 61.9 mm-40 -152.22 141.34 14.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.91 65.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.04 32.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.07 124.6 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.13 18.12 34.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -144.36 139.61 15.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -166.38 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HD2' HD12 ' A' ' 81' ' ' LEU . 8.0 tpt180 -96.38 -43.41 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.2 -19.2 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.87 14.7 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD12 ' HD2' ' A' ' 78' ' ' ARG . 48.5 mt -102.24 137.45 40.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 HD11 ' A' ' 109' ' ' LEU . 7.0 tp -134.49 119.91 19.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -115.57 139.88 49.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.699 HG23 ' SG ' ' A' ' 58' ' ' CYS . 39.8 mm -117.54 96.03 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.42 103.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.6 m -65.01 -176.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 59' ' ' ILE . 3.7 ttt180 -101.62 -50.74 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' GLY . 9.1 m-20 -79.14 70.57 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 35.71 85.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 91' ' ' THR . 37.9 tttt -174.8 160.3 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.477 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 54.9 m -151.59 142.52 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -115.17 116.2 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.58 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.5 mt -112.34 159.64 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.6 t -143.86 128.9 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -90.36 157.47 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.73 -42.75 93.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.8 p -148.77 162.38 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.8 m -43.71 -44.1 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -49.86 71.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.468 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 4.4 m-20 -58.54 -49.92 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.5 t -53.75 -48.97 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.77 -45.88 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.96 -56.15 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.784 ' NE1' HD11 ' A' ' 14' ' ' LEU . 27.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.785 ' HD2' HG21 ' A' ' 63' ' ' THR . 20.1 tttp -55.05 -49.28 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -56.36 -41.88 76.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -66.17 -43.07 87.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.6 HD11 HD21 ' A' ' 82' ' ' LEU . 14.3 mt -65.88 -51.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -54.14 -20.88 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.93 -45.01 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.5 p -56.77 -35.6 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -70.0 -45.16 67.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.1 t -89.02 20.24 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -87.08 111.28 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 115.95 -161.02 13.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 124.86 11.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.8 p -41.79 141.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.4 t -40.54 148.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -106.64 -46.33 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -113.93 122.27 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.44 -81.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -119.79 -56.92 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -153.93 150.0 27.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.43 161.43 28.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.511 ' CE2' ' NH1' ' A' ' 45' ' ' ARG . 20.3 m-85 -85.65 129.38 34.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.955 0.407 . . . . 0.0 110.838 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.65 -60.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.7 tttp -142.02 144.55 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 p -136.5 131.35 33.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.584 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -160.36 -178.76 34.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 65.2 m95 -96.54 128.93 43.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.856 HD11 ' NE1' ' A' ' 105' ' ' TRP . 56.0 mt -144.09 148.83 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -90.24 147.71 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -133.77 130.23 37.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.29 127.9 34.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -92.75 173.91 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.2 p -107.98 -21.26 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.3 mt -98.43 -39.72 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.2 mp -89.18 -3.13 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' LEU . 46.9 mmtt 34.48 50.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -158.48 173.4 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -94.62 129.87 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -124.72 139.66 53.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 55.2 tttt -66.67 130.34 42.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -137.07 164.67 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 45.5 t-105 -108.42 114.77 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.528 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 70.1 m-85 -100.95 153.69 19.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -157.21 112.0 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.5 tp -85.33 142.98 28.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.4 m0 -96.61 174.46 6.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -75.36 -30.21 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.22 2.32 44.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.52 -36.31 4.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -43.63 134.89 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 tp -117.73 129.8 55.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.619 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 30.1 mt -136.21 128.44 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -115.59 163.92 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 22.2 m-85 -131.91 162.01 31.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.23 -46.53 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -133.63 -175.6 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -13.43 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -70.13 -16.54 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.511 ' NH1' ' CE2' ' A' ' 8' ' ' PHE . 35.9 mtm180 41.03 36.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -94.78 -22.95 17.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -121.13 87.52 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 mt -51.37 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -54.92 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 3.3 t70 -171.71 174.4 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.573 ' O ' HG23 ' A' ' 52' ' ' VAL . 24.5 ttmt -136.83 143.86 43.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 51' ' ' LYS . 19.7 t -160.07 129.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -75.22 167.05 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.643 ' SD ' HD22 ' A' ' 109' ' ' LEU . 25.7 mmm -103.49 -70.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.2 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.616 2.211 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 39.4 t -122.69 -47.23 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' OD2' HG13 ' A' ' 52' ' ' VAL . 6.5 t0 -87.08 -46.07 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.401 ' SG ' HG23 ' A' ' 84' ' ' ILE . 9.6 t -84.58 139.73 31.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.9 -23.75 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -142.79 158.12 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 ' HE1' ' A' ' 54' ' ' MET . 86.7 mt -134.46 109.03 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 66' ' ' GLU . 14.4 mtp180 -97.6 146.05 25.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.597 HG21 ' HD2' ' A' ' 106' ' ' LYS . 10.7 p -146.12 137.3 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.22 -116.91 4.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.415 ' ND1' ' HD3' ' A' ' 78' ' ' ARG . 26.9 m80 -87.68 -17.69 31.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . 8.9 mm-40 -59.95 -21.62 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.6 m -51.09 -176.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.0 mmm-85 -88.23 62.17 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 46.93 27.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 pt -77.27 -174.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -139.35 133.55 16.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.576 0.703 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.53 ' HD3' HD11 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.79 160.54 49.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.46 21.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -39.85 116.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.96 -29.87 6.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -102.74 143.7 27.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -166.57 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HD3' ' ND1' ' A' ' 65' ' ' HIS . 7.2 ttt85 -98.77 -38.09 9.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.4 -16.86 39.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 22.7 m -88.9 3.82 50.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.53 HD11 ' HD3' ' A' ' 72' ' ' PRO . 65.2 mt -85.2 132.7 34.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 63' ' ' THR . 5.6 tp -131.89 117.78 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -113.81 146.36 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.401 HG23 ' SG ' ' A' ' 58' ' ' CYS . 3.3 mm -125.1 108.37 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -80.26 116.88 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.8 m -90.14 -176.2 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -84.53 -45.18 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 90' ' ' LYS . 10.5 m-20 -77.11 57.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 36.51 30.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' ASP . 22.1 tptt -100.03 139.22 36.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -133.92 137.45 44.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.47 117.42 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -88.29 115.08 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.528 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 67.2 mt -116.99 162.57 17.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -148.52 133.49 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.89 -179.84 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.0 -29.11 13.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 t -145.78 146.4 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -41.45 -45.34 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.81 -45.95 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -48.82 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.4 t -56.76 -53.65 55.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.438 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 8.1 mt -52.68 -50.99 62.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.65 -55.79 10.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.856 ' NE1' HD11 ' A' ' 14' ' ' LEU . 18.3 m95 -53.34 -51.81 61.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.597 ' HD2' HG21 ' A' ' 63' ' ' THR . 23.6 tttp -54.27 -51.45 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.438 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 21.2 m-85 -56.35 -45.02 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.8 m -59.4 -50.44 73.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.643 HD22 ' SD ' ' A' ' 54' ' ' MET . 7.4 mt -61.22 -58.37 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -44.53 -25.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -85.73 -40.37 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -13.4 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 16.7 mtm105 -69.48 -38.85 77.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.1 t -103.02 -16.61 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 63.3 p -115.68 116.35 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -164.83 -90.78 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.39 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.349 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t 69.96 43.77 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.2 p -48.48 -58.69 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -121.21 155.9 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -114.32 17.06 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.89 -110.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t 56.54 42.47 27.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -90.81 90.36 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.42 76.75 2.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -38.73 129.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.9 t -47.33 -53.42 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -146.99 139.28 24.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 97.7 p -134.28 142.4 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.04 31.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.845 ' O ' HD23 ' A' ' 14' ' ' LEU . 93.8 m95 -76.87 136.98 38.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 13' ' ' TRP . 39.7 mt -151.17 140.28 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.25 136.88 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -126.72 131.17 51.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.17 123.36 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -103.66 159.25 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -86.73 -27.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 mm -82.54 -27.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.4 mt -103.38 -22.53 13.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm 46.92 39.71 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -157.32 148.57 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -67.96 117.08 9.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -120.52 127.92 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 134.43 27.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -144.24 156.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.478 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 74.4 t-105 -103.77 127.62 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 58.9 m-85 -116.44 149.8 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.423 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.5 m-20 -152.54 116.78 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 37' ' ' LEU . 6.6 tp -92.42 134.11 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -89.32 164.99 14.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -67.3 -30.35 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.08 -3.98 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.99 -35.71 4.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -46.76 135.24 9.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 31' ' ' LEU . 26.5 tp -118.81 130.18 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 mt -135.05 129.11 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -116.11 155.26 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.7 m-85 -125.03 168.34 13.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.42 -34.9 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.09 -177.95 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -25.42 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -56.26 -28.4 58.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 58.23 39.79 25.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -94.47 -40.52 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.6 m -111.26 103.68 12.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.5 108.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.64 -63.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -168.11 177.68 5.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -137.12 136.15 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.619 HG13 ' OD2' ' A' ' 57' ' ' ASP . 23.8 t -152.01 142.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.654 ' CD2' ' HB ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -88.59 166.88 13.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.3 mmm -101.13 -70.25 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.654 ' HB ' ' CD2' ' A' ' 53' ' ' HIS . 2.6 t -121.99 -50.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.619 ' OD2' HG13 ' A' ' 52' ' ' VAL . 4.3 t70 -86.33 -43.73 12.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . 1.5 t -86.11 133.92 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.4 -30.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -143.51 147.08 33.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.415 HD12 ' OE1' ' A' ' 110' ' ' GLN . 47.5 mt -116.01 115.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -106.58 138.17 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.531 HG22 HD12 ' A' ' 82' ' ' LEU . 44.2 p -144.1 161.89 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.36 -101.48 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -103.71 -31.53 9.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -42.17 -50.38 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -40.35 161.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 67' ' ' CYS . 80.6 mtt180 -51.91 -173.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -74.96 45.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 71' ' ' GLN . 1.4 pt -83.85 -175.13 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' HG13 ' A' ' 70' ' ' ILE . 12.1 pt20 -150.2 137.98 11.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 160.13 50.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.287 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 54.2 Cg_endo -69.69 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -97.59 120.03 37.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.08 -7.06 56.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 11.0 mmmt -115.59 141.0 26.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.384 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.0 ttm-85 -96.85 -32.68 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.06 -15.24 55.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.4 m -90.23 8.08 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.456 HD13 HD11 ' A' ' 70' ' ' ILE . 13.9 mt -89.06 116.7 27.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.531 HD12 HG22 ' A' ' 63' ' ' THR . 3.8 tp -112.73 140.91 47.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.415 ' O ' HD13 ' A' ' 84' ' ' ILE . 16.1 tt0 -139.51 159.99 40.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 58' ' ' CYS . 4.1 mm -140.46 114.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.32 129.03 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.09 -178.66 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -72.69 -63.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.36 -63.72 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.69 33.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -100.75 105.8 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -95.03 131.67 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.0 mt -107.29 123.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 120.17 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.451 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 30.0 mt -130.31 157.41 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 t -142.99 149.85 38.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.07 -176.05 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 6.7 tt0 -101.61 -29.4 11.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -143.97 135.85 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.9 m -40.54 -39.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -54.81 -43.62 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.1 -57.14 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.16 -48.52 23.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.9 mt -60.13 -40.47 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.96 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.679 ' NE1' HD11 ' A' ' 14' ' ' LEU . 20.0 m95 -59.57 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -56.94 -57.43 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.4 m-85 -52.0 -41.09 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.9 m -66.02 -46.71 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.605 HD22 ' SD ' ' A' ' 54' ' ' MET . 9.5 mt -61.8 -35.58 78.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.415 ' OE1' HD12 ' A' ' 61' ' ' ILE . 14.5 mm-40 -72.24 -34.7 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.1 -29.69 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -74.56 -21.19 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 13.9 mtp-105 -53.6 -49.74 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 115' ' ' SER . 11.4 t -97.04 -40.45 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.424 ' N ' HG23 ' A' ' 114' ' ' THR . 1.5 t -69.48 88.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -179.17 149.16 8.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -7.42 20.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.1 m -39.41 -52.36 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.4 p -89.26 130.78 35.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -144.9 123.58 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 p -95.91 101.03 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.12 159.43 20.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -64.93 106.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -66.15 132.29 48.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.5 139.19 27.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -91.69 132.29 36.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.45 -59.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 40.1 tttp -149.15 140.99 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.6 p -130.24 133.32 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.82 175.91 41.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.654 ' O ' HD23 ' A' ' 14' ' ' LEU . 76.8 m95 -89.11 139.2 30.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.758 HD11 ' NE1' ' A' ' 105' ' ' TRP . 51.5 mt -153.83 147.36 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 26' ' ' LYS . 5.2 mt -88.48 150.0 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -136.44 110.79 8.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.97 105.12 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 m -70.26 -178.57 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -107.57 -24.59 11.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.6 mt -86.74 -48.25 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.03 -14.47 50.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt 40.83 49.74 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -152.69 153.12 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.47 114.23 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.4 135.51 53.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.629 ' HA ' HD23 ' A' ' 15' ' ' LEU . 15.1 tttm -64.19 133.37 52.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -142.46 165.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 64.2 t-105 -107.9 129.73 55.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 52.8 m-85 -117.64 160.3 21.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 27.7 m-20 -162.18 118.27 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -92.81 143.68 26.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.444 ' NE1' HD12 ' A' ' 38' ' ' ILE . 12.0 m95 -98.2 151.78 20.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 t -52.32 -31.66 34.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.4 -22.03 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.7 -30.51 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -50.1 136.29 19.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.02 129.78 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.444 HD12 ' NE1' ' A' ' 32' ' ' TRP . 59.3 mt -134.24 131.56 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -118.93 157.68 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 46.3 m-85 -124.51 172.04 9.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.06 -30.18 60.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -157.91 -175.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -71.94 -6.83 44.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -75.25 -22.95 57.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.467 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 37.3 mtt180 51.9 28.8 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -82.91 -43.23 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -114.72 103.6 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mt -65.35 117.42 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.33 -62.01 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.6 t70 -171.7 166.21 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 52' ' ' VAL . 17.2 ttpp -130.51 141.57 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 51' ' ' LYS . 22.3 t -155.92 148.3 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -93.67 167.66 11.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.629 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.0 mmm -103.03 -70.35 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.0 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.479 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -120.62 -53.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 5.0 m-20 -85.01 -46.46 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.84 148.2 27.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 pt -120.91 -28.81 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.3 161.25 41.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.429 HD12 ' HG2' ' A' ' 110' ' ' GLN . 20.9 mt -122.45 120.89 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.627 ' HE ' HG21 ' A' ' 85' ' ' VAL . 73.9 mtt-85 -112.4 123.46 50.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.615 HG22 HD12 ' A' ' 82' ' ' LEU . 68.7 p -127.41 138.18 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -122.7 9.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -64.83 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.709 0.29 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -52.73 -24.08 8.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 63.4 m -49.66 179.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -87.72 66.15 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 44.3 29.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 71' ' ' GLN . 1.7 pt -83.35 -174.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' N ' HG13 ' A' ' 70' ' ' ILE . 7.3 pt20 -139.84 139.65 22.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.567 ' HB3' HD21 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.72 164.15 35.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.94 149.88 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.81 38.52 30.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -146.94 136.42 11.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.723 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -173.79 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HG2' HD12 ' A' ' 81' ' ' LEU . 11.4 ttm180 -105.41 -22.04 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -73.59 -7.74 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -101.16 11.44 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 72' ' ' PRO . 88.9 mt -91.48 142.18 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.615 HD12 HG22 ' A' ' 63' ' ' THR . 4.1 tp -133.07 123.91 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -124.32 150.79 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mm -127.65 127.69 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.627 HG21 ' HE ' ' A' ' 62' ' ' ARG . 47.2 t -95.31 132.26 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.5 m -96.47 -175.45 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -90.73 -18.13 25.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -105.51 25.57 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.27 -25.21 4.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -48.61 133.3 16.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -132.1 135.75 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -111.89 127.72 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.32 126.69 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 55.9 mt -131.67 163.16 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 49.1 t -144.79 146.17 32.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -109.79 161.57 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -57.54 -36.09 71.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -160.04 168.77 24.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.8 m -46.96 -46.61 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.52 -48.36 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.453 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 6.1 m-20 -62.97 -40.46 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 35.3 t -62.81 -56.54 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.59 -44.76 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.1 -59.24 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.758 ' NE1' HD11 ' A' ' 14' ' ' LEU . 30.6 m95 -53.7 -53.44 52.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -47.52 -59.74 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -50.89 -37.58 44.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.2 m -66.35 -53.09 40.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 11.3 mt -60.19 -48.4 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.429 ' HG2' HD12 ' A' ' 61' ' ' ILE . 35.9 mt-30 -55.41 -25.4 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -87.94 -40.1 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 p -61.6 -14.97 34.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 115' ' ' SER . 60.7 mtm180 -59.09 -47.23 86.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 113' ' ' ARG . 12.5 t 35.24 32.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 113' ' ' ARG . 4.8 t -95.78 42.47 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.67 91.65 2.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -30.13 22.65 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.2 m -50.55 -53.57 29.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -108.26 125.35 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 p -170.02 158.97 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -87.31 176.03 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.18 -63.84 0.33 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.546 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -91.59 42.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -43.78 -51.79 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 60.63 0.97 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -41.74 132.97 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -44.65 -57.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -148.08 143.01 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -133.46 140.44 47.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.15 166.39 39.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.692 ' O ' HD23 ' A' ' 14' ' ' LEU . 74.4 m95 -78.23 142.94 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 13' ' ' TRP . 39.2 mt -157.78 141.75 15.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.496 HD23 ' CA ' ' A' ' 26' ' ' LYS . 32.4 mt -85.22 146.84 26.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -136.49 138.32 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.81 102.61 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -73.73 150.96 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -83.61 -5.11 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.176 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.83 -49.29 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 -8.53 49.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 43.5 40.12 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 23' ' ' ARG . 3.3 ptm85 -144.16 169.73 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -88.37 119.59 28.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -123.61 133.92 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.21 129.27 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -136.09 164.74 27.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 65.5 t-105 -104.74 123.99 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 45.3 m-85 -113.0 154.58 26.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.3 m-20 -156.92 119.86 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.76 140.87 29.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -94.93 172.0 8.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.1 p -74.84 -23.5 58.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.97 -0.35 57.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.39 -28.09 17.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -51.95 135.55 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 30' ' ' ASP . 35.6 tp -118.31 129.76 55.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.503 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 22.0 mt -134.43 132.81 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -121.02 160.52 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.92 160.94 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.34 -41.52 80.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 -176.1 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -62.24 -19.28 63.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.1 p -65.96 -30.87 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 57.4 45.92 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.38 -23.9 15.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -130.23 102.16 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.38 100.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -46.26 -71.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.432 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 20.3 m-20 -163.66 160.89 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . 21.8 ttpt -124.68 141.83 51.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' LYS . 20.2 t -158.51 136.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.482 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -79.78 167.35 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.3 mmm -103.85 -70.23 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.4 Cg_endo -69.74 2.48 3.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 16.7 t -121.38 -48.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -92.19 -47.12 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.575 ' SG ' HG23 ' A' ' 84' ' ' ILE . 41.8 t -78.6 119.95 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.404 HD11 ' CG ' ' A' ' 88' ' ' ASP . 14.5 pt -101.79 -29.33 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -141.8 170.59 15.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mt -139.3 112.93 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -100.19 117.23 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.6 p -133.36 157.01 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.56 -113.27 3.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.6 m80 -92.78 -17.84 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -45.52 -52.38 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.45 ' SG ' HD13 ' A' ' 81' ' ' LEU . 3.7 p -67.78 114.88 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -119.36 -30.85 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.0 -4.87 10.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.4 ' C ' ' HG2' ' A' ' 71' ' ' GLN . 4.0 pt -121.38 -176.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 70' ' ' ILE . 35.5 mm-40 -144.74 133.28 10.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 140.86 43.47 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 131.27 20.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -42.21 136.13 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.09 -1.66 80.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -124.58 139.45 33.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.53 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 67' ' ' CYS . 3.1 mtp180 -97.92 -41.97 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.58 -20.99 23.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.4 m -81.88 14.94 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.45 HD13 ' SG ' ' A' ' 67' ' ' CYS . 55.2 mt -100.06 129.28 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.672 HD21 HD11 ' A' ' 109' ' ' LEU . 5.4 tp -127.88 127.11 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.574 ' OE1' HG21 ' A' ' 91' ' ' THR . 6.2 tt0 -127.22 151.61 48.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.575 HG23 ' SG ' ' A' ' 58' ' ' CYS . 10.2 mm -130.97 97.93 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.66 106.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ARG . 28.6 t -91.24 116.46 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' CYS . 18.1 mtp180 34.21 36.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 86' ' ' CYS . 14.3 m-20 46.78 52.96 10.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.48 -51.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -115.82 90.8 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.574 HG21 ' OE1' ' A' ' 83' ' ' GLN . 92.4 m -79.51 133.12 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -108.09 115.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.65 116.3 28.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.555 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.4 mt -123.08 168.43 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.7 t -156.71 126.22 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.564 ' HB3' ' HB2' ' A' ' 102' ' ' CYS . . . -87.46 177.01 7.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -89.07 -48.9 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 101' ' ' ASP . 4.4 m -123.65 145.68 48.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.4 m -39.92 -44.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -41.76 93.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.7 OUTLIER -61.63 -46.27 90.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 40.5 t -63.09 -53.16 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.1 mt -56.55 -55.13 37.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -40.09 -48.62 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.688 ' NE1' HD11 ' A' ' 14' ' ' LEU . 31.5 m95 -62.63 -55.05 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 109' ' ' LEU . 33.5 tttm -44.32 -59.68 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -44.77 -51.68 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 m -60.05 -40.7 90.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.672 HD11 HD21 ' A' ' 82' ' ' LEU . 43.8 mt -63.59 -54.82 29.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.96 -42.47 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' SER . 5.4 t70 -65.81 -58.09 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.5 m -36.91 -37.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 13.1 mtp-105 -47.42 -64.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.8 t -106.06 44.05 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.6 p -70.86 110.65 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 166.42 175.91 37.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -45.62 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -164.5 174.79 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.6 p -121.26 125.52 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -94.5 -61.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.878 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -73.96 102.96 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.96 -66.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -69.25 140.7 54.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -116.44 -40.05 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.75 109.08 2.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -95.68 142.64 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.45 -58.62 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -143.44 127.83 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -117.14 128.68 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.476 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -164.96 172.92 40.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 82.3 m95 -92.45 130.82 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.809 HD11 ' NE1' ' A' ' 105' ' ' TRP . 60.6 mt -142.78 144.49 32.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 26' ' ' LYS . 81.7 mt -79.1 146.45 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -141.2 127.79 20.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -85.17 117.33 24.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -80.3 177.55 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.5 p -98.44 -29.27 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.7 -45.8 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.31 -23.7 46.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 42.36 48.8 4.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -150.49 151.09 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -75.07 116.71 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -125.8 135.91 52.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.36 130.74 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -135.86 165.11 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.476 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 27.4 t-105 -98.1 117.95 33.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 31.7 m-85 -105.99 151.87 24.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -156.21 112.6 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 37' ' ' LEU . 7.6 tp -88.14 148.64 24.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -101.6 150.17 23.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -51.84 -38.87 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.808 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -69.3 -28.93 66.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.99 -27.47 3.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -53.61 136.11 39.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HB2' HD12 ' A' ' 31' ' ' LEU . 28.4 tp -116.87 130.16 56.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.648 HD11 ' HE2' ' A' ' 51' ' ' LYS . 73.8 mt -137.45 128.09 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -116.0 157.61 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.71 ' CD2' HD13 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -122.83 178.88 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.13 -37.99 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -145.5 178.67 7.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.43 -14.41 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -67.27 -24.41 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 28.8 mtt85 56.88 28.79 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -91.99 -27.04 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -120.37 110.71 16.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.71 HD13 ' CD2' ' A' ' 40' ' ' TYR . 39.2 mm -75.55 129.55 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.73 -51.09 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 t70 -174.29 -178.92 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.648 ' HE2' HD11 ' A' ' 38' ' ' ILE . 19.6 ttmt -147.6 137.81 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 51' ' ' LYS . 32.2 t -157.79 151.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.477 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -97.77 167.16 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.4 mmm -103.9 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.2 Cg_endo -69.7 2.73 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 15.5 t -121.79 -47.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.1 m-20 -92.63 -47.72 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.533 ' SG ' HG23 ' A' ' 84' ' ' ILE . 43.8 t -76.93 144.99 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 pt -127.77 -29.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.406 ' CA ' HH22 ' A' ' 113' ' ' ARG . 5.2 t30 -143.05 158.33 43.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.507 HD11 ' HE1' ' A' ' 54' ' ' MET . 20.4 mt -131.17 111.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -91.14 119.36 31.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.52 ' CG2' HD12 ' A' ' 82' ' ' LEU . 32.1 p -140.4 134.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.58 -114.74 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -89.74 31.41 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.765 0.316 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.14 -25.5 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.1 106.43 17.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 -121.81 -7.19 9.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -101.61 4.16 40.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 pt -127.29 -177.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -144.98 122.46 6.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.91 61.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.75 23.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -44.45 115.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.65 -38.47 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -87.49 142.99 33.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -167.03 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.472 ' HG2' HD12 ' A' ' 81' ' ' LEU . 11.0 ttt85 -104.15 -33.86 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -67.5 -6.46 19.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.66 10.01 42.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' A' ' 78' ' ' ARG . 63.1 mt -91.99 127.79 37.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.637 HD21 HD11 ' A' ' 109' ' ' LEU . 8.3 tp -122.4 126.06 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.647 ' OE1' HG21 ' A' ' 91' ' ' THR . 5.8 tt0 -121.47 147.63 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.559 HD13 ' O ' ' A' ' 83' ' ' GLN . 36.3 mm -126.95 92.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -73.78 124.3 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.53 -179.41 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 44.6 mtt180 -68.4 -59.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.98 -67.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.67 -37.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' GLY . 32.2 tttm -35.34 120.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.647 HG21 ' OE1' ' A' ' 83' ' ' GLN . 38.1 m -114.65 137.83 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.2 mt -107.82 122.15 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -98.74 113.56 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.1 mt -120.76 164.59 16.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -149.98 138.39 20.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -105.04 154.86 19.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -45.91 -41.14 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 t -159.24 164.86 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.1 m -42.74 -54.71 3.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -43.92 -46.12 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.577 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.0 m-20 -65.03 -55.56 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.7 t -49.28 -54.8 15.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.4 mt -48.62 -52.76 21.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.11 -56.89 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.809 ' NE1' HD11 ' A' ' 14' ' ' LEU . 43.4 m95 -58.4 -55.1 39.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 109' ' ' LEU . 25.6 tttm -41.12 -59.48 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -46.42 -49.91 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.2 m -58.08 -39.88 79.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 82' ' ' LEU . 21.8 mt -68.87 -57.79 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.571 ' O ' HG22 ' A' ' 114' ' ' THR . 21.9 mm-40 -52.95 -26.47 15.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.61 -34.63 17.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 p -71.71 -20.75 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.412 ' NH2' HG13 ' A' ' 61' ' ' ILE . 6.3 ptp180 -89.33 -11.5 43.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 110' ' ' GLN . 13.2 t -132.14 47.86 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.2 t -150.5 112.7 4.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.34 -86.63 0.33 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.8 Cg_endo -69.8 -29.45 23.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 117' ' ' PRO . 8.2 m -34.64 122.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 m 51.94 47.42 24.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -113.58 168.57 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -134.82 126.86 29.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -170.68 -39.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.4 m -35.56 -48.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 p -147.89 119.24 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.13 130.31 13.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -96.5 136.36 37.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 t -60.11 -58.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 105' ' ' TRP . 52.6 tttt -143.92 134.37 24.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.7 p -132.29 139.39 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.62 176.15 45.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.425 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 72.8 m95 -92.09 139.08 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.799 HD11 ' NE1' ' A' ' 105' ' ' TRP . 69.1 mt -151.98 149.29 28.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 17.1 mt -80.31 151.52 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -146.83 120.82 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -81.61 106.32 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 p -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.4 p -93.67 -34.51 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -78.65 -66.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' LYS . 30.6 mt -65.48 -15.91 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' LEU . 25.8 mtmt 37.96 54.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -153.17 158.25 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 71' ' ' GLN . 95.3 m95 -80.75 106.95 13.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -113.88 143.08 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 1.2 tppt? -75.09 127.47 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -131.26 174.9 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.425 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 59.1 t-105 -110.66 113.94 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 69.4 m-85 -105.68 143.92 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.96 125.41 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 tp -93.9 145.91 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.691 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.2 m0 -100.5 157.63 16.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -59.63 -35.95 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.91 -9.27 58.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.82 -36.71 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.482 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 14.5 m80 -43.43 135.04 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -116.88 130.03 56.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.691 HD12 ' CE2' ' A' ' 32' ' ' TRP . 35.4 mt -134.31 136.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -126.43 150.83 48.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CE2' HG12 ' A' ' 48' ' ' ILE . 48.1 m-85 -118.39 168.87 10.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.49 -44.9 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -140.26 177.4 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -62.74 -8.48 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p -77.53 -18.56 56.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 63.6 mtt180 49.35 41.63 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -99.62 -30.58 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.04 86.73 2.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.554 HG12 ' CE2' ' A' ' 40' ' ' TYR . 97.0 mt -56.14 111.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.77 -61.23 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 27.7 t70 -173.4 158.22 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -123.5 133.25 54.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -153.28 136.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 2.6 t-160 -78.97 167.32 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.839 ' HE1' HD11 ' A' ' 61' ' ' ILE . 27.0 mmm -102.87 -70.36 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 3.4 t -122.36 -50.42 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -89.58 -52.47 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.602 ' SG ' HG23 ' A' ' 84' ' ' ILE . 37.5 t -69.86 125.18 25.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.39 -23.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.16 152.02 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.839 HD11 ' HE1' ' A' ' 54' ' ' MET . 89.8 mt -123.53 113.01 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -97.16 122.27 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 HG22 ' A' ' 61' ' ' ILE . 48.9 p -138.05 145.56 41.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 -106.63 2.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' GLU . 91.4 m-70 -93.07 -35.0 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.737 0.303 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' HIS . 6.7 mm-40 -34.17 -50.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.8 p -72.13 115.15 11.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -124.27 -21.33 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -80.83 13.44 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.3 pt -133.35 -176.9 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 13.6 pt20 -143.05 124.9 8.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.2 Cg_endo -69.77 148.46 65.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.91 55.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -55.83 128.14 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 21.95 38.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -143.68 136.73 13.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.552 0.692 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.27 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -96.07 -37.3 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.3 -12.49 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.3 p -93.99 12.04 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 72' ' ' PRO . 88.6 mt -98.17 128.94 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.574 HD21 HD11 ' A' ' 109' ' ' LEU . 5.1 tp -120.69 125.91 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.41 ' OE1' HG21 ' A' ' 91' ' ' THR . 11.3 tt0 -127.9 149.74 50.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.602 HG23 ' SG ' ' A' ' 58' ' ' CYS . 11.8 mm -130.83 100.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.57 141.02 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.1 m -106.81 -175.0 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -84.99 -38.59 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.26 24.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 84.9 -36.91 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLY . 62.8 tttm -35.22 148.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.41 HG21 ' OE1' ' A' ' 83' ' ' GLN . 20.2 m -150.84 137.5 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.0 mt -107.9 122.38 62.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -93.88 117.93 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 7.1 mt -128.56 164.71 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.9 t -153.63 137.21 15.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -103.73 159.47 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -50.36 -56.0 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.5 p -135.03 163.67 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.5 m -44.17 -54.41 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -46.16 -46.34 17.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.631 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 33.3 m-20 -59.59 -47.69 84.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.83 -56.2 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.3 mt -47.59 -48.15 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.403 ' HB1' ' NZ ' ' A' ' 10' ' ' LYS . . . -47.1 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.799 ' NE1' HD11 ' A' ' 14' ' ' LEU . 39.0 m95 -53.08 -55.89 20.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -42.18 -58.28 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 22.4 m-85 -45.86 -49.14 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.1 m -62.28 -51.99 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.574 HD11 HD21 ' A' ' 82' ' ' LEU . 39.0 mt -53.01 -48.45 67.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -62.93 -35.77 81.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.24 -35.4 78.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 p -65.85 -12.32 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -93.99 37.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.09 -53.21 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 m -63.96 123.65 19.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.68 83.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 131.32 20.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.258 . . . . 0.0 112.321 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.1 p -168.83 117.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 56.7 m -44.99 -62.66 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -153.25 152.93 31.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -90.01 157.01 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.34 -130.72 10.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -142.51 126.73 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -72.83 129.75 38.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.53 136.5 13.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 12.5 m-85 -87.43 135.42 33.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -49.5 -62.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 46.4 tttp -136.08 144.44 45.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 39.5 p -136.98 141.85 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -177.24 175.16 47.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.537 ' O ' HD23 ' A' ' 14' ' ' LEU . 85.4 m95 -92.73 137.32 32.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.579 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.1 mt -147.82 142.36 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.1 126.83 33.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -121.23 115.6 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -71.91 122.88 21.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -98.6 170.0 9.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -87.31 -35.36 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -71.58 -68.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.1 mt -65.6 -8.25 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.2 mtmp? 35.39 54.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -166.21 167.23 16.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -80.27 125.51 29.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -126.29 128.63 47.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -63.89 132.22 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -136.43 175.93 9.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 57.6 t-105 -115.09 113.32 23.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 35.8 m-85 -100.11 150.14 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.52 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 7.1 m-20 -154.74 112.83 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 tp -85.74 140.58 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.3 161.2 14.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 p -66.77 -24.56 66.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.74 9.97 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 -38.89 3.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -43.07 135.21 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 tp -120.26 129.67 54.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.4 mt -136.11 134.72 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 1.7 p90 -123.91 152.06 42.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' A' ' 45' ' ' ARG . 21.8 m-85 -117.29 178.96 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 19.4 t0 -81.36 -22.77 38.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 64.6 m-20 -163.61 -174.97 3.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.64 47.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 p -114.76 -14.72 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.453 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 15.7 mtt180 41.15 29.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -119.26 -33.35 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -102.83 76.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.426 HG12 ' CE2' ' A' ' 40' ' ' TYR . 82.2 mt -55.81 116.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -73.3 -48.37 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 26.8 t0 -169.45 172.07 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -140.99 134.01 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG13 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -152.58 137.11 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.465 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -82.56 166.46 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.625 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.5 mmm -101.12 -70.05 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.625 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.73 3.36 2.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.465 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -122.38 -50.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' CB ' HG13 ' A' ' 52' ' ' VAL . 1.3 t70 -84.1 -61.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.38 133.89 48.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.405 HG23 ' HG3' ' A' ' 87' ' ' ARG . 5.0 pt -109.98 -27.87 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -139.91 161.61 37.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.606 HD11 ' HE1' ' A' ' 54' ' ' MET . 89.3 mt -135.31 126.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.652 ' NH1' HG21 ' A' ' 85' ' ' VAL . 15.6 mtt85 -125.55 148.91 48.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.793 HG22 HD12 ' A' ' 82' ' ' LEU . 15.3 p -138.76 152.47 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.34 -139.3 41.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -51.44 -36.01 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -49.13 -34.85 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.481 ' HB3' ' NE2' ' A' ' 83' ' ' GLN . 34.1 m -57.28 164.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -51.83 -174.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -75.71 45.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 71' ' ' GLN . 3.0 pt -89.56 -174.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' N ' HG13 ' A' ' 70' ' ' ILE . 3.4 pm0 -144.35 141.6 18.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD3' ' NH1' ' A' ' 78' ' ' ARG . 53.8 Cg_endo -69.77 155.19 66.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -164.62 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.44 149.54 30.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.81 15.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HZ1' ' HA ' ' A' ' 97' ' ' GLU . 14.6 mmtt -146.41 131.94 9.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 173.62 10.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.318 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' NH1' ' HD3' ' A' ' 72' ' ' PRO . 9.4 ttm-85 -102.23 11.78 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.53 -13.04 16.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.58 5.4 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -74.93 141.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.793 HD12 HG22 ' A' ' 63' ' ' THR . 6.2 tp -133.99 133.92 41.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 67' ' ' CYS . 13.4 tt0 -131.82 153.22 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.67 127.71 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.652 HG21 ' NH1' ' A' ' 62' ' ' ARG . 39.3 t -95.63 120.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.3 m -88.45 -175.72 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' HG3' HG23 ' A' ' 59' ' ' ILE . 22.8 mtp85 -89.99 -9.14 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -106.38 44.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 47.33 20.62 0.95 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -89.65 156.67 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.6 m -140.46 128.73 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 118.51 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 m -88.27 122.76 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.9 mt -128.38 164.35 22.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 t -144.55 137.44 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 97' ' ' GLU . . . -104.89 141.23 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.504 ' HA ' ' HZ1' ' A' ' 76' ' ' LYS . 5.8 tt0 -37.7 -48.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -146.61 165.41 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -45.54 -54.24 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -49.2 -44.82 43.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.75 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.9 t -61.73 -53.29 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.9 mt -51.83 -49.09 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.53 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.579 ' NE1' HD11 ' A' ' 14' ' ' LEU . 21.6 m95 -64.72 -46.62 81.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.608 ' HD2' HG21 ' A' ' 63' ' ' THR . 30.7 tttp -57.32 -48.15 79.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 23.5 m-85 -58.04 -51.83 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m -62.02 -36.5 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 105' ' ' TRP . 9.3 mt -72.84 -30.35 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -78.63 -37.12 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.92 -20.63 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -81.06 -21.54 39.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -88.38 -31.62 18.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.59 43.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.6 p -78.07 109.31 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.96 83.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.01 22.52 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.728 2.286 . . . . 0.0 112.318 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.6 p -76.02 157.95 32.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.9 p -155.68 144.5 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -142.77 133.65 25.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.825 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -81.51 149.67 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.58 -74.84 0.22 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -47.04 173.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -83.04 160.83 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.92 133.79 11.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -93.43 135.45 34.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.8 t -46.14 -58.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 49.6 tttp -143.17 144.36 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.486 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 82.8 p -133.77 141.37 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.411 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -174.25 158.17 26.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.778 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.3 m95 -77.29 135.59 38.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 13' ' ' TRP . 31.0 mt -148.0 139.75 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -84.29 124.36 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 35.6 ttp85 -112.92 132.03 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -83.8 96.37 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -64.68 174.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 p -97.25 -25.93 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mt -88.91 -58.58 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.13 -14.96 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 39.68 52.77 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -166.01 164.72 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -76.96 113.68 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -116.47 133.39 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 2.6 ttpm? -63.64 130.57 44.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -137.56 175.11 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.459 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 37.3 t-105 -117.83 112.52 20.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 63.5 m-85 -98.69 148.93 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 72.3 m-20 -155.35 114.15 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 37' ' ' LEU . 8.5 tp -86.83 147.02 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.0 m0 -100.35 171.53 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 t -71.39 -29.74 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.02 8.15 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.43 -34.47 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -46.42 134.27 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.63 ' HB2' HD12 ' A' ' 31' ' ' LEU . 19.7 tp -117.06 129.53 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.708 HD11 ' HE2' ' A' ' 51' ' ' LYS . 42.0 mt -135.19 132.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 1.2 p90 -119.9 159.97 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.541 ' CE2' ' HG2' ' A' ' 45' ' ' ARG . 26.2 m-85 -125.35 175.31 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 16.0 t0 -74.01 -28.15 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 19.6 m-20 -161.82 -175.51 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.604 HE22 HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -75.76 48.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.604 HG23 HE22 ' A' ' 43' ' ' GLN . 7.0 p -118.55 -27.14 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 60.6 mtt180 55.76 36.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -120.37 -29.91 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.8 t -104.72 68.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.0 mt -46.06 92.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' SER . 32.0 mm-40 -51.53 -59.26 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 10.5 t0 -167.11 176.47 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.708 ' HE2' HD11 ' A' ' 38' ' ' ILE . 28.0 ttmt -141.69 130.12 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.0 t -142.7 138.23 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.471 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.96 166.99 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.2 mmm -102.19 -69.99 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.679 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.8 1.71 4.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.9 t -121.05 -48.21 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 1.1 t70 -88.33 -44.86 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 84' ' ' ILE . 13.0 t -85.96 138.72 31.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -119.89 -29.54 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -138.07 149.16 45.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.6 HD11 ' HE1' ' A' ' 54' ' ' MET . 79.7 mt -122.88 134.55 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -132.06 149.32 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.41 ' CG2' HD12 ' A' ' 82' ' ' LEU . 1.3 p -138.68 132.82 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.86 -133.74 31.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -50.73 -47.91 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -40.99 -40.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.487 ' HB3' ' NE2' ' A' ' 83' ' ' GLN . 3.6 m -56.37 169.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' CYS . 13.5 mtt180 -51.78 -174.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.33 41.23 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.471 HD13 HE21 ' A' ' 83' ' ' GLN . 3.9 pt -84.51 -174.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.92 144.11 27.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HA ' HD21 ' A' ' 81' ' ' LEU . 53.1 Cg_endo -69.83 154.67 67.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.0 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.48 140.08 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 61.2 41.05 99.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 8.6 mmmm -153.75 137.68 10.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.65 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -103.91 -34.55 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.28 -12.46 41.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.5 p -93.44 10.29 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.427 HD21 ' HA ' ' A' ' 72' ' ' PRO . 81.3 mt -89.0 138.75 31.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.594 HD23 HD12 ' A' ' 94' ' ' LEU . 6.9 tp -130.45 127.9 40.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.487 ' NE2' ' HB3' ' A' ' 67' ' ' CYS . 10.4 tt0 -122.79 153.3 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 83' ' ' GLN . 13.2 mm -133.66 114.18 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.99 110.08 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 98.1 m -83.26 -177.4 6.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -79.71 -39.57 30.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' LYS . 7.0 t0 -88.89 53.26 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.46 26.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 88' ' ' ASP . 75.9 tttt -92.61 95.15 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.437 HG23 ' HG2' ' A' ' 83' ' ' GLN . 91.2 m -87.21 126.79 35.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.43 118.92 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m -88.47 119.34 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.594 HD12 HD23 ' A' ' 82' ' ' LEU . 41.8 mt -123.34 155.59 36.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 t -138.95 134.8 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -102.45 154.15 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.69 -50.7 72.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 t -137.59 151.0 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.6 m -38.76 -37.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -55.9 -51.02 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.897 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.3 t70 -57.45 -52.73 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.2 -53.67 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -55.1 -50.52 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.67 70.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.572 ' NE1' HD11 ' A' ' 14' ' ' LEU . 19.4 m95 -66.27 -49.51 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -53.61 -54.56 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -54.48 -46.06 73.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.7 m -61.24 -47.57 85.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.8 -43.56 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -75.23 -53.23 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.6 p -40.96 -31.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -48.06 -56.8 6.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.0 t -84.14 -33.82 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 m -95.33 112.6 24.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -167.4 -94.04 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.8 60.93 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.304 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.1 p -132.38 111.78 11.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.2 t -115.53 126.81 54.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -68.37 95.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -66.56 146.39 54.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.45 102.88 0.91 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -122.52 135.9 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -145.37 132.42 20.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.26 133.0 11.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -91.38 127.44 36.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.32 -58.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.2 tttp -147.99 143.59 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 p -135.24 131.55 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -163.41 169.69 38.56 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.845 ' O ' HD23 ' A' ' 14' ' ' LEU . 78.0 m95 -81.62 135.98 35.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.7 mt -151.43 139.08 19.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 26' ' ' LYS . 15.6 mt -81.2 154.58 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -142.72 126.4 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -86.23 106.56 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -84.1 165.68 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.3 p -82.98 -26.19 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.34 -58.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD22 ' HD2' ' A' ' 25' ' ' LYS . 6.1 mp -67.22 -21.15 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 39.56 48.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -164.59 152.46 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -68.74 116.63 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD2' HD22 ' A' ' 21' ' ' LEU . 20.7 ptmt -121.56 128.54 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -52.94 127.77 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -136.96 156.8 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.496 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 38.8 t-105 -103.13 130.06 50.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 50.2 m-85 -117.16 149.98 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -153.52 113.42 3.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -89.41 146.24 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -99.6 147.57 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -50.66 -33.93 24.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -70.71 -33.19 70.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.51 -23.05 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -57.67 139.05 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -116.87 129.72 56.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -137.64 128.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 1.0 OUTLIER -121.45 150.92 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.402 ' CG ' ' HA ' ' A' ' 45' ' ' ARG . 37.6 m-85 -116.76 176.21 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.68 -37.71 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.82 -177.58 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.04 -28.7 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -42.72 -41.53 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 54.5 mtt180 56.22 30.26 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -113.14 -30.25 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -102.63 79.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.28 120.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -78.01 -64.14 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 10.3 m-20 -160.81 153.61 21.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 52' ' ' VAL . 16.1 ttpt -123.18 140.41 53.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 51' ' ' LYS . 29.5 t -157.68 148.41 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.475 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.41 167.16 12.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.4 mmm -103.79 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.77 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.0 t -121.47 -50.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -88.39 -53.47 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.09 122.49 18.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 pt -102.18 -29.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -142.77 159.07 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.8 mt -125.85 112.32 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -105.98 128.78 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.765 HG22 HD12 ' A' ' 82' ' ' LEU . 76.5 p -136.63 136.9 39.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.51 -137.58 19.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -55.04 -26.42 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.13 -41.61 62.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.463 ' HB3' HD13 ' A' ' 70' ' ' ILE . 19.7 m -52.12 160.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 70' ' ' ILE . 12.6 tpt180 -151.55 150.81 30.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 0.6 OUTLIER 64.13 28.56 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 68' ' ' ARG . 4.5 pt -140.43 -176.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -167.22 137.2 2.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.59 68.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.48 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.55 109.05 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.84 8.69 20.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -130.56 140.92 40.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.81 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -94.36 -32.13 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.484 ' OD2' HG23 ' A' ' 99' ' ' THR . 12.3 t70 -65.5 -9.82 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -93.58 12.08 26.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.88 123.66 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.765 HD12 HG22 ' A' ' 63' ' ' THR . 4.9 tp -119.76 135.96 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -133.6 146.89 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.1 mm -126.41 103.58 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -77.85 120.64 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.31 171.74 12.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.62 -61.59 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.15 -63.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 175.16 -30.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' GLY . 35.4 tttp -36.04 101.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -98.88 134.95 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt -110.01 120.11 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.41 120.61 33.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.554 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 11.5 mt -128.51 158.59 37.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 t -144.45 117.89 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.73 170.06 15.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -76.92 -34.12 57.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' ASP . 2.3 t -149.75 146.18 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.484 HG23 ' OD2' ' A' ' 79' ' ' ASP . 28.3 m -36.66 -48.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.95 -44.57 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' SER . 3.3 m-20 -65.12 -36.67 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.87 -39.26 83.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.27 -42.24 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.53 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.569 ' CE2' HD11 ' A' ' 14' ' ' LEU . 28.2 m95 -65.47 -47.42 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.642 ' HD2' HG21 ' A' ' 63' ' ' THR . 37.5 tttp -52.95 -58.07 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -49.89 -48.04 51.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.3 m -58.46 -41.54 85.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.65 -43.55 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.54 -14.44 51.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.93 -42.71 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 p -56.47 -20.29 19.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 4.4 mtm105 -54.84 -68.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.6 t -74.99 -7.99 55.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -106.67 47.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.29 167.33 13.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.17 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.638 2.226 . . . . 0.0 112.342 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.7 m -148.38 168.11 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.3 p -63.76 -46.32 85.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -167.07 111.36 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -157.32 136.25 11.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.81 -133.71 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.413 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -82.52 41.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 m -57.41 101.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.49 132.87 51.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -89.73 135.63 33.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.96 -60.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 11' ' ' SER . 49.2 tttp -144.23 151.39 39.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 92.0 p -135.8 145.0 46.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.35 32.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.736 ' O ' HD23 ' A' ' 14' ' ' LEU . 66.0 m95 -82.83 137.84 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 13' ' ' TRP . 34.6 mt -151.58 143.62 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 26' ' ' LYS . 10.7 mt -90.86 139.33 30.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -124.37 133.2 53.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.6 110.03 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -82.18 157.11 24.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -81.71 -55.43 4.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.08 -57.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.3 -38.59 91.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 61.07 46.42 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -157.15 158.18 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -77.16 112.04 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -113.68 130.16 56.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 16.7 tttp -59.52 138.33 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -148.17 156.01 42.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.442 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 43.3 t-105 -95.69 113.65 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 49.5 m-85 -101.59 151.91 21.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.626 ' O ' HD12 ' A' ' 37' ' ' LEU . 6.1 m-20 -159.48 126.8 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 112' ' ' SER . 10.2 tp -95.13 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.845 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 10.9 m95 -100.54 163.96 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.7 p -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.81 16.21 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.55 -39.68 3.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -38.71 134.04 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 30' ' ' ASP . 23.6 tp -119.82 129.68 54.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.845 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 64.7 mt -134.51 126.08 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 142.35 46.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.718 ' CD2' HD13 ' A' ' 48' ' ' ILE . 1.1 m-85 -110.76 155.14 22.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.494 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 3.1 t0 -46.91 -39.7 12.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -175.07 177.02 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 43' ' ' GLN . 1.0 OUTLIER -37.79 -27.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' ASP . 52.6 p -40.14 -30.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 43.75 30.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -123.26 -30.98 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 94.63 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.718 HD13 ' CD2' ' A' ' 40' ' ' TYR . 38.2 mm -64.54 120.45 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 11.3 mm-40 -75.15 -56.77 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -175.07 165.67 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 38' ' ' ILE . 25.8 ttmt -129.76 139.86 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -152.85 139.75 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.465 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.93 166.95 15.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.641 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.8 mmm -104.95 -70.49 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.79 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 69.0 t -123.15 -47.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.4 m-20 -92.24 -41.4 10.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.669 ' SG ' HG23 ' A' ' 84' ' ' ILE . 51.9 t -86.53 130.59 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -116.16 -24.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -146.14 153.32 40.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 54' ' ' MET . 87.8 mt -126.78 113.05 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.451 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 69.6 mtt180 -100.1 118.11 35.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.431 HG23 HG22 ' A' ' 61' ' ' ILE . 40.0 p -140.95 137.31 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.12 -104.02 2.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -96.13 36.84 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 20.2 mt-10 -117.58 -38.56 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.8 p -87.26 125.12 34.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -130.39 -32.32 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.9 -5.6 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.1 pt -122.37 -175.39 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -153.86 137.39 10.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HD3' HD11 ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.72 148.19 64.79 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 74' ' ' ASP . 53.9 Cg_endo -69.75 131.27 20.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 27.7 t70 -36.35 112.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.06 -39.87 2.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -87.22 142.41 33.52 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -167.07 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -100.19 -38.68 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.46 -17.34 53.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -88.43 11.87 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.446 HD11 ' HD3' ' A' ' 72' ' ' PRO . 69.3 mt -91.64 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD21 HD11 ' A' ' 109' ' ' LEU . 3.0 tp -125.95 132.17 52.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.401 ' HG2' ' CG2' ' A' ' 91' ' ' THR . 21.9 tt0 -135.75 137.21 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.669 HG23 ' SG ' ' A' ' 58' ' ' CYS . 20.5 mm -116.73 101.31 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.12 108.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.45 155.41 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 40.9 mtt180 -51.07 178.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.5 t70 54.63 45.58 26.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 48.11 34.8 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -98.8 158.42 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.401 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 61.0 m -158.16 138.91 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.73 130.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.477 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.5 m -95.96 123.38 39.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 93' ' ' SER . 19.2 mt -136.47 156.26 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 8.9 t -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 152.79 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -48.56 -48.05 38.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 t -148.53 164.66 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -40.31 -50.69 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -51.76 -54.63 26.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -44.95 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 39.9 t -59.25 -62.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.632 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 17.0 mt -44.75 -56.06 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.66 -59.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.483 ' CE2' HD11 ' A' ' 14' ' ' LEU . 39.1 m95 -58.72 -44.92 90.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -53.08 -52.47 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.632 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 26.6 m-85 -52.21 -52.39 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -58.66 -48.26 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 82' ' ' LEU . 25.9 mt -58.51 -44.89 89.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -60.44 -18.72 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.692 ' O ' HG22 ' A' ' 114' ' ' THR . 21.2 t0 -94.31 -53.92 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.541 ' HB3' HD21 ' A' ' 31' ' ' LEU . 87.9 p -48.35 -38.35 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 115' ' ' SER . 9.3 ptm180 -66.43 -27.3 67.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.692 HG22 ' O ' ' A' ' 111' ' ' ASP . 13.3 t -34.23 -35.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 113' ' ' ARG . 7.9 t 44.37 48.6 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.448 ' H ' HG23 ' A' ' 114' ' ' THR . . . 165.04 -163.48 36.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 127.63 14.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.4 t -82.22 -50.07 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.4 p -124.7 153.62 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -166.72 160.56 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -148.64 173.55 13.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.46 124.14 2.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -90.29 147.84 23.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -116.68 -53.51 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.86 105.92 2.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -85.4 134.03 34.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -55.77 -58.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -142.34 136.86 30.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.443 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 73.3 p -129.2 128.79 44.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.61 175.23 37.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.716 ' O ' HD23 ' A' ' 14' ' ' LEU . 72.1 m95 -92.46 131.2 37.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 ' NE1' ' A' ' 105' ' ' TRP . 24.8 mt -148.42 147.75 29.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mt -83.4 155.74 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -145.78 126.77 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.79 108.06 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.17 173.23 11.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 p -109.61 0.99 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -112.48 -39.21 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -99.98 -7.35 25.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 39.46 48.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.4 148.64 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -68.55 111.73 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -114.51 129.2 56.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 5.9 ttpp -60.54 129.87 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 64.1 t-105 -112.21 111.65 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.477 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 65.0 m-85 -99.02 155.61 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.8 m-20 -156.78 112.66 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -88.71 139.83 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.633 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -93.5 175.03 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -76.77 -29.13 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.03 -2.89 56.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.59 -24.55 28.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.435 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -56.08 135.1 53.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 30' ' ' ASP . 28.7 tp -118.01 130.34 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.633 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 21.0 mt -133.03 127.32 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -114.48 155.75 25.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 32.6 m-85 -123.64 172.1 9.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.42 -46.5 48.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -139.62 179.8 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -59.85 -28.73 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 p -56.77 -21.07 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 55.1 mtm180 47.22 43.14 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.37 -23.07 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.25 93.35 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.2 mt -60.01 108.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.99 -60.49 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -171.67 164.32 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -126.84 135.35 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.4 t -151.04 140.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.486 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.7 167.65 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.632 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -104.3 -70.62 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.486 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 24.4 t -122.05 -45.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.0 OUTLIER -94.3 -42.3 8.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.563 ' SG ' HG23 ' A' ' 84' ' ' ILE . 27.6 t -85.65 133.3 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.06 -25.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -147.73 157.66 43.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.922 HD12 ' OE1' ' A' ' 110' ' ' GLN . 34.8 mt -129.67 110.81 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -95.41 127.21 41.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.574 ' CG2' HD12 ' A' ' 82' ' ' LEU . 68.2 p -140.73 150.04 42.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.29 -114.86 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -80.47 -24.43 39.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -47.09 -50.38 20.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.1 p -74.41 117.38 16.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -126.59 -9.2 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -89.16 -5.86 57.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.6 pt -120.88 -179.67 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -142.43 137.37 15.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.6 65.5 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.353 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.06 141.58 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.8 47.94 51.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -150.02 122.83 4.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.99 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -97.97 -26.34 14.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.479 ' HB2' HG23 ' A' ' 99' ' ' THR . 0.1 OUTLIER -62.76 -19.05 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 28.0 p -96.03 15.69 19.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.73 132.51 44.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.574 HD12 ' CG2' ' A' ' 63' ' ' THR . 6.1 tp -131.01 137.93 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.654 ' OE1' HG21 ' A' ' 91' ' ' THR . 7.9 tt0 -134.9 163.82 28.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 83' ' ' GLN . 6.6 mm -141.32 111.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.0 124.5 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 30.1 m -89.23 174.57 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.0 -64.36 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -61.86 -48.43 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 161.85 -30.57 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' GLY . 65.8 tttt -34.34 103.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.654 HG21 ' OE1' ' A' ' 83' ' ' GLN . 88.2 m -101.59 134.83 44.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.5 mt -107.35 123.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 m -94.48 122.95 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.477 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 56.9 mt -131.29 163.37 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 t -146.57 138.55 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.847 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -98.79 165.62 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -69.09 -44.21 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' ASP . 64.6 m -147.24 153.81 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 79' ' ' ASP . 5.2 m -36.86 -39.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.27 -48.47 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.847 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 3.6 t70 -60.62 -42.21 96.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.6 t -63.87 -48.99 74.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 11.3 mt -58.28 -46.49 85.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.89 -53.52 51.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.785 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.2 m95 -60.77 -57.16 13.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -43.75 -47.4 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.0 m-85 -63.2 -49.09 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 m -58.27 -36.43 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.44 -43.01 61.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.922 ' OE1' HD12 ' A' ' 61' ' ' ILE . 15.0 mm100 -63.44 -22.17 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -86.11 -41.48 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.4 p -58.94 -13.44 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.68 -59.06 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.6 t -84.86 6.88 22.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -111.38 104.87 13.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 151.38 -92.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 142.81 49.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -115.63 143.76 44.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -64.12 -50.42 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.439 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -51.35 121.72 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -66.68 139.73 57.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.08 159.36 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -86.62 176.06 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -99.99 99.32 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.96 130.82 10.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 13.6 m-85 -95.35 134.32 38.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -52.26 -61.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 52.7 tttp -135.16 148.46 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.0 p -144.4 133.89 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.25 162.98 36.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.75 ' O ' HD23 ' A' ' 14' ' ' LEU . 50.2 m95 -78.42 130.49 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.89 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.6 mt -150.21 149.43 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD23 ' HD3' ' A' ' 26' ' ' LYS . 5.8 mt -89.27 154.92 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttp85 -141.72 129.63 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -91.55 106.76 18.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 177.6 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -98.83 -14.67 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 20' ' ' ILE . 4.0 mp -98.67 -37.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 21' ' ' LEU . 5.7 mp -86.46 -14.58 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt 38.62 48.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -165.24 165.3 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CZ3' ' O ' ' A' ' 93' ' ' SER . 94.6 m95 -81.37 119.67 23.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -121.46 134.93 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HD3' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -69.2 135.54 50.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -144.89 171.6 14.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CD1' ' OD2' ' A' ' 30' ' ' ASP . 69.5 t-105 -110.05 120.89 43.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.691 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 34.8 m-85 -106.46 150.01 26.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 57.2 m-20 -152.63 115.31 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -86.59 144.25 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -97.82 166.81 11.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -70.1 -28.18 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.09 2.18 44.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 -21.83 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -56.44 134.22 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -117.19 129.72 56.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.08 127.81 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -115.41 151.39 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CE2' HG12 ' A' ' 48' ' ' ILE . 41.9 m-85 -112.98 173.91 6.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 25.4 t70 -66.15 -38.68 88.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 57.1 m-20 -165.08 -178.74 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -41.42 -28.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.5 p -42.87 -35.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 9.8 mtm180 48.18 27.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -116.39 -32.49 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -99.77 77.14 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.499 HG12 ' CE2' ' A' ' 40' ' ' TYR . 66.2 mt -49.21 124.83 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.07 -60.48 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -155.39 178.83 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -144.74 133.8 22.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 t -152.73 140.56 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.468 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.93 166.77 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.816 ' HE1' HD11 ' A' ' 61' ' ' ILE . 27.1 mmm -102.67 -69.85 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.3 Cg_endo -69.81 3.7 2.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.468 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -121.52 -52.87 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.0 m-20 -86.48 -54.86 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.482 ' SG ' HG23 ' A' ' 84' ' ' ILE . 17.6 t -67.55 112.16 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.0 pt -90.62 -31.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -145.59 157.31 43.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.816 HD11 ' HE1' ' A' ' 54' ' ' MET . 59.2 mt -127.76 116.07 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -111.81 140.64 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.745 HG22 HD12 ' A' ' 82' ' ' LEU . 18.1 p -129.91 145.25 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.48 -129.42 49.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -57.16 -42.87 81.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.76 -47.69 4.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.483 ' HB3' ' NE2' ' A' ' 83' ' ' GLN . 4.3 m -51.51 171.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -54.41 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.28 41.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.546 HD13 HE21 ' A' ' 83' ' ' GLN . 2.3 pt -84.61 -174.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' N ' HG13 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -144.3 142.22 19.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.52 63.21 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.49 21.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.25 111.02 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.44 2.8 22.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -138.93 136.07 18.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.67 -19.78 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -28.88 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -88.1 21.38 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 mt -94.22 137.38 33.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.745 HD12 HG22 ' A' ' 63' ' ' THR . 4.3 tp -136.99 121.83 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.546 HE21 HD13 ' A' ' 70' ' ' ILE . 10.5 tt0 -120.95 144.08 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.482 HG23 ' SG ' ' A' ' 58' ' ' CYS . 5.3 mm -119.26 101.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.8 t -73.12 111.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 88' ' ' ASP . 1.8 m -72.83 -174.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ASP . 59.8 mtp85 -62.61 74.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' CYS . 0.4 OUTLIER 33.36 53.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.15 -37.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -137.05 173.58 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.2 m -160.09 132.58 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.8 mt -108.89 131.23 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 24' ' ' TRP . 7.9 m -105.23 99.01 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.691 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.5 mt -101.56 154.93 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -138.37 115.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.81 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -75.0 163.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.28 -42.79 87.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -147.28 166.79 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -52.15 -34.63 45.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -46.06 91.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.81 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.4 t0 -63.47 -52.35 61.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.5 t -49.95 -53.51 25.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 14.8 mt -53.12 -45.25 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.45 -52.95 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.89 ' NE1' HD11 ' A' ' 14' ' ' LEU . 30.9 m95 -60.0 -47.38 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 63' ' ' THR . 38.9 tttm -57.17 -47.41 81.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.0 m-85 -59.28 -42.14 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.7 m -64.95 -51.84 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.628 HD22 ' SD ' ' A' ' 54' ' ' MET . 20.1 mt -57.83 -44.61 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.517 ' O ' HG22 ' A' ' 114' ' ' THR . 4.5 mm100 -68.68 -19.6 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.32 -25.09 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 p -84.18 -27.28 28.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 113' ' ' ARG . 1.2 ptm85 -74.43 -34.68 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 110' ' ' GLN . 10.0 t -104.92 46.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 55.1 p -109.24 130.24 55.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -167.2 -177.26 38.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 98.85 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.6 m -136.81 135.0 37.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -114.58 137.71 51.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.479 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -173.63 127.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -136.77 144.8 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.32 140.75 3.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.7 p -40.64 161.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -106.51 136.25 46.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.06 133.9 11.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -77.99 132.13 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.7 -61.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 35.5 tttp -141.32 143.14 33.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -132.08 134.53 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.803 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.68 169.86 40.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.786 ' O ' HD23 ' A' ' 14' ' ' LEU . 52.9 m95 -87.78 131.32 34.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.2 mt -146.21 141.45 27.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 26' ' ' LYS . 6.8 mt -82.56 153.55 25.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' NH1' ' OD1' ' A' ' 27' ' ' ASN . 10.5 ttp-105 -141.35 125.21 17.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -83.04 100.2 10.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -67.28 164.68 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 p -85.31 -42.53 14.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.42 -47.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 mt -77.28 -29.26 53.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 52.15 41.41 30.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -147.43 155.29 41.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -76.72 108.13 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -111.27 138.9 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 23.9 tttt -67.51 134.07 50.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' NH1' ' A' ' 16' ' ' ARG . 33.8 m120 -141.92 160.96 39.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.426 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 55.0 t-105 -106.38 113.3 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CZ ' ' CD2' ' A' ' 94' ' ' LEU . 74.5 m-85 -100.93 160.33 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 7.7 m-20 -162.84 116.01 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -86.95 143.74 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.626 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.1 m0 -97.12 163.96 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.0 p -66.15 -32.08 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.07 -15.38 59.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.44 -35.37 4.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -46.84 136.87 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.4 tp -116.81 130.07 56.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.626 HD12 ' CE2' ' A' ' 32' ' ' TRP . 28.2 mt -133.91 147.11 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -136.29 156.81 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 80.5 m-85 -119.82 163.78 16.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.81 -30.53 69.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -155.01 -179.4 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -63.17 -23.26 67.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p -64.08 -20.86 66.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 85.7 mtt180 47.43 34.12 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.96 -23.08 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -129.83 105.91 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.401 HG12 ' CE2' ' A' ' 40' ' ' TYR . 94.8 mt -66.23 105.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.25 -58.24 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.521 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 16.9 t70 -170.72 168.82 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -135.59 132.83 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.61 150.6 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.661 ' CD2' ' HB ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -94.43 167.43 11.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.653 ' HE1' HD11 ' A' ' 61' ' ' ILE . 25.4 mmm -103.61 -70.19 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.556 0.694 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.3 Cg_endo -69.71 2.51 3.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.661 ' HB ' ' CD2' ' A' ' 53' ' ' HIS . 8.9 t -121.05 -49.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 5.3 m-20 -89.71 -55.54 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.726 ' SG ' HG23 ' A' ' 84' ' ' ILE . 36.6 t -66.65 117.47 8.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.424 HG12 ' C ' ' A' ' 86' ' ' CYS . 12.4 pt -101.93 -27.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -138.73 159.25 42.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 ' HE1' ' A' ' 54' ' ' MET . 95.9 mt -133.89 115.19 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.428 ' NE ' ' OE1' ' A' ' 83' ' ' GLN . 17.5 mtm180 -103.22 118.64 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.796 ' CG2' HD12 ' A' ' 82' ' ' LEU . 11.9 p -145.02 131.29 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.87 95.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 47.39 26.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.409 ' HB2' ' N ' ' A' ' 63' ' ' THR . 18.2 mt-10 -108.23 -38.81 5.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 m -54.14 179.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 69' ' ' ASP . 21.0 ttt85 -163.41 153.96 16.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.4 m-20 64.11 25.03 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.443 HD11 HD13 ' A' ' 81' ' ' LEU . 16.2 pt -140.25 179.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -154.68 136.97 9.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 145.95 59.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.372 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -178.71 2.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.45 126.18 31.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 10.46 61.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -135.46 132.07 19.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -102.12 -9.69 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -25.39 40.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.8 p -84.83 11.43 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.443 HD13 HD11 ' A' ' 70' ' ' ILE . 9.3 mt -84.47 130.68 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.796 HD12 ' CG2' ' A' ' 63' ' ' THR . 6.1 tp -128.77 118.15 22.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.536 ' O ' HD13 ' A' ' 84' ' ' ILE . 16.2 tt0 -120.95 153.94 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.726 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.5 mm -137.33 108.93 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.9 t -93.83 131.89 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.424 ' C ' HG12 ' A' ' 59' ' ' ILE . 1.3 p -89.9 -177.47 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -59.03 -70.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -43.97 -67.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 178.82 -26.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' GLY . 15.1 tttp -33.8 142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.414 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 37.6 m -139.46 131.86 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.2 mt -107.51 117.08 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.36 113.59 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -120.99 158.04 28.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.2 t -143.43 132.57 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.695 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -96.61 159.43 14.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.89 -41.0 90.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' THR . 8.3 t -152.26 157.42 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' SER . 3.7 m -36.73 -46.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.35 -50.5 62.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.695 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 1.8 m-20 -57.14 -42.74 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.494 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 17.9 mt -60.81 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -43.77 -54.81 4.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.616 ' NE1' HD11 ' A' ' 14' ' ' LEU . 29.8 m95 -59.45 -51.62 69.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -49.81 -60.19 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.494 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 29.8 m-85 -48.76 -48.81 40.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -55.75 -45.9 77.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 54' ' ' MET . 29.7 mt -65.2 -59.27 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.47 ' OE1' ' CZ ' ' A' ' 113' ' ' ARG . 23.2 mm-40 -49.41 -30.88 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -79.77 -43.6 22.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -56.59 -31.52 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CZ ' ' OE1' ' A' ' 110' ' ' GLN . 71.8 mtm180 -43.2 -44.53 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.2 p -56.5 -54.11 49.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -39.82 100.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.07 -93.89 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.92 2.38 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.737 2.292 . . . . 0.0 112.347 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.7 m -127.07 157.17 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 t -136.71 119.38 16.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.44 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 p -50.39 164.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -124.85 133.98 52.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.77 92.01 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -55.01 -45.21 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -164.5 156.58 16.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.43 142.09 17.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -92.83 137.34 32.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.57 -58.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -139.59 132.13 28.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.434 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 88.0 p -126.67 132.45 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.79 165.71 38.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.653 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.2 m95 -82.54 139.54 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.712 HD11 ' NE1' ' A' ' 105' ' ' TRP . 16.6 mt -154.14 149.95 27.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 5.3 mt -90.87 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -126.87 134.47 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -92.01 102.32 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -80.3 174.49 11.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -90.84 -45.82 8.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 mm -64.48 -57.74 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.19 -38.46 75.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp 59.56 41.05 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -148.51 164.37 34.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -80.13 102.65 9.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -104.58 134.76 47.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 5.5 tptp -68.19 132.62 47.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -140.97 173.69 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 56.0 t-105 -114.87 112.81 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 80.2 m-85 -98.26 150.48 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -154.08 112.26 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.12 144.11 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.583 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.6 m95 -97.87 167.07 11.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -71.18 -28.19 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -83.92 -2.42 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 -28.06 16.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -53.94 135.76 42.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.3 tp -118.24 129.77 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.583 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 43.4 mt -136.08 126.27 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -113.2 162.02 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -128.04 179.85 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 -40.12 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -155.47 -177.81 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -32.43 43.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -46.08 -37.48 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 58.85 34.82 23.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -100.88 -28.19 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -110.89 103.06 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.42 97.64 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -48.49 -59.53 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -168.45 -178.46 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HE2' HD11 ' A' ' 38' ' ' ILE . 19.1 ttmt -142.45 136.57 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.508 HG13 ' OD2' ' A' ' 57' ' ' ASP . 23.0 t -152.71 138.41 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.475 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -84.25 167.2 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.638 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.4 mmm -102.34 -70.33 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.78 2.45 3.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 8.0 t -121.91 -47.89 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' OD2' HG13 ' A' ' 52' ' ' VAL . 2.3 t70 -88.45 -50.22 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.519 ' SG ' HG23 ' A' ' 84' ' ' ILE . 48.1 t -76.76 117.38 18.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 pt -93.52 -25.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -151.76 165.49 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.46 HD11 ' HE1' ' A' ' 54' ' ' MET . 32.0 mt -133.61 130.84 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.425 ' HD2' ' CG2' ' A' ' 85' ' ' VAL . 11.4 mtp180 -122.71 150.88 42.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.919 HG22 HD12 ' A' ' 82' ' ' LEU . 21.6 p -145.01 147.57 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.16 -124.66 17.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -80.0 -25.05 40.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -51.79 -39.58 58.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.4 m -55.3 177.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HB3' HG23 ' A' ' 70' ' ' ILE . 2.2 tpt180 -53.28 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -82.72 35.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 68' ' ' ARG . 2.7 pt -77.41 -174.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.47 ' N ' HG13 ' A' ' 70' ' ' ILE . 19.1 pt20 -141.08 137.65 17.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HD3' ' NH1' ' A' ' 78' ' ' ARG . 54.1 Cg_endo -69.78 155.32 66.15 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.631 2.221 . . . . 0.0 112.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -40.05 128.08 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.1 -30.72 9.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -98.06 143.74 26.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -166.14 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HD3' HD12 ' A' ' 81' ' ' LEU . 13.6 tpp180 -99.68 -42.81 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.62 -12.84 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.17 9.97 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.481 HD12 ' HD3' ' A' ' 78' ' ' ARG . 13.1 mt -92.55 142.93 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.919 HD12 HG22 ' A' ' 63' ' ' THR . 5.3 tp -137.59 134.66 35.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -133.59 135.81 44.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.519 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.1 mm -112.4 107.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.425 ' CG2' ' HD2' ' A' ' 62' ' ' ARG . 61.6 t -75.46 114.63 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.64 153.72 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -58.18 179.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.05 34.58 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 53.07 34.38 46.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -108.86 145.59 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.44 ' N ' ' HD2' ' A' ' 90' ' ' LYS . 89.1 m -141.41 154.41 45.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 91' ' ' THR . 60.7 mt -124.92 117.67 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -83.94 123.26 29.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 42.7 mt -131.55 156.06 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 47.1 t -141.39 132.02 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.22 153.54 17.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -52.3 -53.98 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.0 p -140.13 162.93 34.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -43.71 -46.03 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -54.32 -46.1 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.28 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.02 -49.36 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.15 -45.26 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -57.0 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.712 ' NE1' HD11 ' A' ' 14' ' ' LEU . 24.5 m95 -55.0 -46.68 75.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HD2' HG21 ' A' ' 63' ' ' THR . 47.2 tttt -56.81 -51.36 69.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -55.53 -43.8 76.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.9 m -66.68 -44.3 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.42 HD11 HD21 ' A' ' 82' ' ' LEU . 19.9 mt -61.3 -49.13 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -48.51 -49.48 35.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 113' ' ' ARG . 4.0 t70 -61.25 -57.69 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.6 m -35.28 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 115' ' ' SER . 75.0 mtp180 -55.64 -56.65 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' ARG . 10.1 t 34.07 33.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' ARG . 32.2 p -105.95 124.38 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.84 177.49 24.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.29 20.86 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -75.27 151.13 38.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.8 m -99.07 -51.44 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -131.81 104.14 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 t -172.54 125.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.92 -75.45 0.41 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -97.63 133.87 41.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 p -52.69 117.6 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 8' ' ' PHE . . . -74.51 77.81 1.04 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 7' ' ' GLY . 13.0 m-85 -34.48 132.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -49.14 -61.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -141.12 139.43 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . 84.8 p -133.84 129.82 37.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.96 175.87 35.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.861 ' O ' HD23 ' A' ' 14' ' ' LEU . 32.9 m95 -91.94 127.95 37.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.2 mt -144.78 152.19 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.77 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -137.92 116.8 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -84.39 113.7 21.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -96.52 156.9 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -82.22 -20.82 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.57 -44.52 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -85.81 -16.97 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 40.01 52.14 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -164.33 159.63 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 96.6 m95 -85.1 111.49 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -113.91 132.65 55.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -59.39 133.33 56.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -139.93 155.63 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.415 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 70.1 t-105 -105.17 112.47 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.659 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 87.5 m-85 -101.52 156.03 17.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.5 m-20 -157.74 115.61 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 37' ' ' LEU . 9.2 tp -86.27 141.24 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.4 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 12.9 m95 -95.99 168.45 10.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -73.37 -24.44 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.38 -2.78 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.05 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 7.8 m80 -48.67 134.74 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HB2' HD12 ' A' ' 31' ' ' LEU . 21.1 tp -118.4 129.7 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.4 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 60.6 mt -131.99 134.44 59.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -123.84 150.67 44.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -114.7 170.6 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.2 -37.18 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -147.15 172.01 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -18.11 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -67.95 -20.17 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 52.55 30.7 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -90.21 -35.09 15.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -108.69 96.58 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.59 102.11 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.84 -60.66 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 21.3 t70 -171.8 176.7 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -141.07 133.05 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.3 t -150.33 140.72 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.469 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -84.16 167.23 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.1 mmm -102.85 -70.16 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.71 2.69 3.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.1 t -121.85 -48.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 m-20 -91.9 -49.96 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.619 ' SG ' HG23 ' A' ' 84' ' ' ILE . 53.7 t -73.02 117.52 14.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.0 pt -99.13 -29.71 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -138.7 165.73 26.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.4 mt -136.35 109.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HE ' HG21 ' A' ' 85' ' ' VAL . 58.1 mtt180 -102.2 143.94 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.773 HG22 HD12 ' A' ' 82' ' ' LEU . 7.7 p -140.76 131.35 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -125.37 12.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.589 ' CE1' ' NE ' ' A' ' 78' ' ' ARG . 33.3 m-70 -60.23 -48.84 80.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -41.75 -41.81 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.8 m -49.32 168.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -52.2 -174.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.55 42.25 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 71' ' ' GLN . 2.1 pt -88.47 -174.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.45 ' N ' HG13 ' A' ' 70' ' ' ILE . 32.1 mt-30 -147.92 142.43 16.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 156.31 63.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -166.1 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.59 138.94 31.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.89 33.96 87.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -147.46 134.87 10.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 65' ' ' HIS . 15.5 ttp180 -104.26 -28.0 11.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.0 -16.32 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.04 10.52 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.7 mt -86.47 141.7 28.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.773 HD12 HG22 ' A' ' 63' ' ' THR . 5.5 tp -139.19 117.81 12.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.457 ' OE1' HG21 ' A' ' 91' ' ' THR . 16.0 tt0 -118.03 147.19 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.619 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.1 mm -126.78 119.12 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.445 HG21 ' HE ' ' A' ' 62' ' ' ARG . 10.3 t -98.34 133.5 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.8 -179.53 5.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -57.09 -73.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -45.19 -70.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.38 -28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' GLY . 32.4 tttt -33.78 128.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.457 HG21 ' OE1' ' A' ' 83' ' ' GLN . 89.9 m -124.97 130.53 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.7 mt -104.57 125.86 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 m -97.99 113.29 25.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.659 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -118.71 157.4 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.525 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 36.7 t -139.23 133.21 31.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.821 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -93.74 161.8 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.22 -38.17 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' ASP . 49.4 m -156.21 154.59 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.0 m -38.68 -45.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -54.27 -44.04 71.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.821 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.1 t70 -63.97 -53.76 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 53.1 t -51.18 -54.35 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.8 mt -48.5 -43.1 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -52.54 64.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.823 ' NE1' HD11 ' A' ' 14' ' ' LEU . 29.8 m95 -59.19 -46.88 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HD2' HG21 ' A' ' 63' ' ' THR . 25.6 tttm -55.53 -61.85 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 26.4 m-85 -45.97 -40.35 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -64.65 -49.76 69.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 82' ' ' LEU . 11.1 mt -61.98 -44.06 97.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.68 -22.15 56.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -94.99 -38.36 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.8 p -63.47 -19.51 64.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 113' ' ' ARG . 0.5 OUTLIER -85.88 -27.67 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 114' ' ' THR . 10.5 t -112.81 48.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.5 m -110.75 49.1 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.57 -158.19 34.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 2.56 3.43 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.731 2.288 . . . . 0.0 112.362 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' SER . 57.4 p -42.1 137.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' SER . 41.8 m -38.01 138.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.533 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -52.31 -44.44 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -70.96 144.94 50.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.83 120.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -93.78 105.69 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.825 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 p -72.67 102.81 3.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.49 155.27 28.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -93.4 137.61 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -53.4 -60.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -139.79 144.87 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 13.0 p -138.2 131.23 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -162.33 166.8 36.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 79.1 m95 -83.66 126.33 32.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.699 HD11 ' NE1' ' A' ' 105' ' ' TRP . 19.0 mt -139.07 144.83 38.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 26' ' ' LYS . 6.5 mt -93.67 122.28 35.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 19.6 ttp-105 -110.77 125.67 53.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -69.99 112.7 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -88.54 132.97 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.415 ' CG2' HD12 ' A' ' 20' ' ' ILE . 10.3 t -72.75 -19.95 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 19' ' ' THR . 4.3 mp -86.66 -41.24 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt -93.88 -7.08 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp 39.18 53.16 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -170.4 148.28 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 83.3 m95 -66.86 121.9 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -122.43 131.19 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.661 ' HA ' HD23 ' A' ' 15' ' ' LEU . 10.1 ttpt -58.88 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' CB ' HH12 ' A' ' 16' ' ' ARG . 30.8 m120 -141.84 171.59 13.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.424 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 45.1 t-105 -116.66 114.12 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 41.2 m-85 -99.38 148.77 23.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -151.01 115.3 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -89.01 145.45 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -99.43 168.23 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -70.26 -32.78 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.67 1.94 31.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 -31.59 8.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -46.98 134.49 10.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.531 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 23.7 mt -136.82 127.34 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 1.5 p90 -116.37 147.94 41.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.507 ' CG ' ' HA ' ' A' ' 45' ' ' ARG . 72.2 m-85 -110.56 174.85 5.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.486 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 12.1 t70 -73.27 -31.77 64.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-20 -163.0 -174.98 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -55.84 -13.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -57.39 -23.64 50.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.507 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 50.2 mtt180 39.19 36.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -122.11 -32.1 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -95.97 79.2 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -49.71 101.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 18.1 mm-40 -62.33 -49.03 77.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 5.2 t70 -172.86 176.28 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . 12.4 ttpp -144.95 140.28 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' LYS . 18.5 t -158.56 135.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.467 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -80.64 166.83 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.819 ' HE1' HD11 ' A' ' 61' ' ' ILE . 28.0 mmm -101.68 -70.26 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.74 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 4.1 t -122.3 -48.5 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CB ' HG13 ' A' ' 52' ' ' VAL . 3.4 t0 -87.52 -50.15 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.9 149.61 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 pt -125.72 -33.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -142.12 147.47 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.819 HD11 ' HE1' ' A' ' 54' ' ' MET . 62.0 mt -118.56 126.95 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.535 ' NH1' HG22 ' A' ' 85' ' ' VAL . 7.8 mtt85 -115.32 153.19 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.563 HG22 HD12 ' A' ' 82' ' ' LEU . 17.6 p -145.38 133.73 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.51 -134.58 26.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -55.87 -41.41 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -46.73 -39.47 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.9 m -54.93 168.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -51.78 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.46 44.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.458 HD13 ' NE2' ' A' ' 83' ' ' GLN . 6.6 pt -88.66 -174.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -146.81 141.14 15.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 148.89 65.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.7 153.22 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.78 23.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -141.24 129.0 12.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -173.01 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.353 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -109.79 19.67 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -113.25 -15.01 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.89 7.64 45.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.59 145.9 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 63' ' ' THR . 5.6 tp -139.42 125.65 20.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.458 ' NE2' HD13 ' A' ' 70' ' ' ILE . 10.8 tt0 -123.49 151.37 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 mm -125.84 108.51 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.535 HG22 ' NH1' ' A' ' 62' ' ' ARG . 58.1 t -78.68 112.93 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.5 164.68 21.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -53.72 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.05 31.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -91.31 102.71 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.436 HG21 ' OE1' ' A' ' 83' ' ' GLN . 25.4 m -94.14 119.24 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.5 mt -105.69 116.85 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.1 m -85.71 120.98 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.615 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 40.9 mt -123.73 157.89 32.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.524 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 4.9 t -137.26 138.98 40.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -106.62 145.62 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -38.35 -53.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -142.49 179.48 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -55.17 -50.84 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.93 -46.83 61.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.543 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -55.86 -53.29 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 47.4 t -53.74 -58.24 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.1 mt -47.61 -43.96 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.81 -49.81 75.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.699 ' NE1' HD11 ' A' ' 14' ' ' LEU . 18.3 m95 -60.56 -52.45 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.41 ' HD2' HG21 ' A' ' 63' ' ' THR . 27.0 tttp -51.1 -57.81 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -52.02 -45.6 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.7 m -57.56 -55.48 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.458 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 20.4 mt -54.62 -49.54 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -50.92 -32.29 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -81.37 -49.47 10.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.0 p -49.46 -28.68 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 15.3 mtp-105 -46.82 -29.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.0 p -81.36 47.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.4 m -124.34 140.28 53.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.05 135.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 90.9 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.4 m -146.61 125.08 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 62.4 p -59.48 135.86 57.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -45.46 111.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m 50.37 42.05 25.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.79 -173.15 31.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -58.29 100.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 48.31 42.35 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.68 143.58 1.32 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -90.45 130.52 36.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.1 t -47.66 -60.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -141.02 146.78 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.1 p -139.11 132.0 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.806 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.42 171.14 39.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.591 ' O ' HD23 ' A' ' 14' ' ' LEU . 60.0 m95 -87.28 127.35 35.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 ' NE1' ' A' ' 105' ' ' TRP . 23.1 mt -143.91 148.02 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 26' ' ' LYS . 5.0 mt -91.03 146.39 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -134.66 136.03 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -87.42 111.43 21.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.3 t -86.1 153.77 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -76.96 -32.76 57.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -78.88 -58.92 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.24 -26.37 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mttp 49.89 49.89 19.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -164.39 154.74 14.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -73.92 116.42 14.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -123.12 125.05 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.9 134.3 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.79 155.68 44.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -104.82 111.85 24.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.548 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 77.3 m-85 -99.18 152.03 20.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -153.95 112.19 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -84.84 140.17 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.47 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.7 m95 -94.15 169.66 10.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -71.91 -29.79 64.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -5.36 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.23 -30.47 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -52.1 136.39 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.1 tp -117.85 130.49 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.47 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 47.8 mt -135.53 129.82 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.7 152.81 33.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.98 176.14 5.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -77.36 -41.1 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 p30 -144.9 -177.21 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -65.97 -14.92 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -71.55 -15.99 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 46.06 41.48 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -102.31 -19.18 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -125.52 98.54 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -67.6 103.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -51.69 -56.79 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 14.6 t70 -173.17 174.71 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.61 135.49 40.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.43 143.36 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.48 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.29 167.53 14.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.64 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.5 mmm -106.39 -70.21 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.552 0.691 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.83 3.46 2.79 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 41.6 t -120.57 -49.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.7 m-20 -90.94 -47.02 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.636 ' SG ' HG23 ' A' ' 84' ' ' ILE . 34.4 t -78.55 119.9 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.6 pt -100.85 -31.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -143.45 171.41 14.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -137.19 106.27 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 mtt85 -93.05 119.61 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.757 ' CG2' HD12 ' A' ' 82' ' ' LEU . 40.2 p -136.52 138.67 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 -115.21 4.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.57 35.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -105.59 -44.43 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.0 p -80.0 102.71 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.19 -6.44 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -97.12 3.96 51.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 pt -128.06 169.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -132.78 137.67 30.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 145.59 57.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.484 ' CG ' ' SG ' ' A' ' 95' ' ' CYS . 53.4 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -45.58 119.4 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.92 38.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -133.3 143.61 48.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.58 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -104.57 5.37 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -97.94 -9.92 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -99.23 2.82 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 81' ' ' LEU . 20.6 mt -73.19 130.94 41.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.757 HD12 ' CG2' ' A' ' 63' ' ' THR . 5.3 tp -131.02 117.98 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.737 ' NE2' HG21 ' A' ' 91' ' ' THR . 6.3 tt0 -118.89 131.38 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.636 HG23 ' SG ' ' A' ' 58' ' ' CYS . 24.5 mm -103.18 90.55 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.74 109.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ARG . 12.1 m -92.03 170.56 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' ASP . 29.6 mtm180 -35.88 136.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' ARG . 2.4 t0 -34.39 100.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.4 22.25 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -174.4 143.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.737 HG21 ' NE2' ' A' ' 83' ' ' GLN . 56.1 m -157.98 132.77 8.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.9 mt -104.38 138.72 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.13 120.44 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.526 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 33.9 mt -125.5 155.15 41.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.484 ' SG ' ' CG ' ' A' ' 73' ' ' PRO . 50.0 t -140.09 113.42 8.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 102' ' ' CYS . . . -78.16 153.4 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -54.38 -59.21 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -129.81 155.56 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.3 m -39.97 -49.87 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -52.79 -46.23 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.35 -44.15 88.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 42.6 t -62.65 -55.16 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 12.0 mt -51.13 -38.92 54.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.63 -50.97 71.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.738 ' NE1' HD11 ' A' ' 14' ' ' LEU . 40.4 m95 -64.19 -54.24 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -42.81 -51.33 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.4 m-85 -53.13 -54.41 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 59.4 m -54.84 -51.31 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.519 HD11 HD21 ' A' ' 82' ' ' LEU . 18.5 mt -54.87 -44.17 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -59.98 -41.82 92.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -79.85 -19.84 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.3 p -78.76 -31.68 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 -80.18 -32.49 38.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.79 -25.22 40.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 t -85.4 104.48 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.89 -86.84 1.93 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -14.46 36.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 t -69.74 111.56 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.3 t -54.99 -55.15 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.26 -56.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -145.8 121.08 10.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 62.5 p -115.78 131.66 56.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.439 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.78 179.8 39.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.847 ' O ' HD23 ' A' ' 14' ' ' LEU . 68.7 m95 -97.1 137.2 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 13' ' ' TRP . 37.3 mt -150.2 146.89 27.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD12 ' HB3' ' A' ' 95' ' ' CYS . 6.2 mt -80.96 154.69 26.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -144.54 124.18 13.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.51 103.71 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 t -76.42 160.92 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.6 m -85.1 -20.79 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.94 -36.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.7 mt -89.78 -12.28 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.2 mttt 36.11 42.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -156.14 167.03 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -83.4 124.15 30.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -126.2 128.33 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 121.7 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -126.46 176.8 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 69.8 t-105 -118.35 110.38 17.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 36.9 m-85 -98.93 156.55 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 5.7 m-20 -159.07 112.57 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 tp -87.18 138.31 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.427 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.0 m0 -91.37 172.01 8.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -73.08 -28.28 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.07 5.46 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.75 -36.91 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -43.65 137.52 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.7 tp -120.74 130.78 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.427 HD12 ' CE2' ' A' ' 32' ' ' TRP . 47.1 mt -136.67 132.98 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -119.11 149.76 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 50.9 m-85 -113.77 -179.42 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.53 -35.67 34.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.49 179.78 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -55.71 -21.3 17.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.9 p -61.03 -30.93 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.494 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 19.6 mtm180 57.32 38.83 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -103.81 -39.49 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -97.39 82.07 3.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.67 95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.99 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -166.5 177.36 6.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -139.47 132.52 29.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 57' ' ' ASP . 21.6 t -147.26 148.59 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.9 166.49 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.721 ' SD ' HD22 ' A' ' 109' ' ' LEU . 25.9 mmm -101.45 -69.9 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.79 3.27 2.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -122.19 -50.38 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.467 ' CB ' HG13 ' A' ' 52' ' ' VAL . 2.8 t70 -85.59 -45.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.653 ' SG ' HG23 ' A' ' 84' ' ' ILE . 18.7 t -86.24 132.72 33.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 87' ' ' ARG . 28.5 pt -110.39 -34.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -134.87 155.33 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.583 HD11 ' HE1' ' A' ' 54' ' ' MET . 35.4 mt -129.82 114.3 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -110.54 147.45 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.75 HG22 HD12 ' A' ' 82' ' ' LEU . 47.5 p -140.69 131.35 25.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.32 -140.74 21.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 71.7 m80 -59.86 -26.05 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 121.657 0.742 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.29 57.48 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -174.85 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.4 147.11 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.37 40.97 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -149.91 137.56 11.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -164.6 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.579 ' HD3' ' CD2' ' A' ' 65' ' ' HIS . 13.6 ttt180 -112.82 -31.02 6.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -22.03 66.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.47 6.74 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.88 143.61 28.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.75 HD12 HG22 ' A' ' 63' ' ' THR . 5.4 tp -139.84 118.44 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.472 ' O ' HD13 ' A' ' 84' ' ' ILE . 13.4 tt0 -115.49 156.09 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.653 HG23 ' SG ' ' A' ' 58' ' ' CYS . 18.6 mm -131.03 108.07 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.8 t -81.5 111.1 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.21 171.84 14.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 59' ' ' ILE . 62.2 mtp180 -61.77 -73.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -44.6 -57.67 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.6 -26.49 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -38.17 132.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.4 m -128.69 123.22 32.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.2 mt -105.09 124.39 59.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 m -97.94 117.8 33.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -119.45 162.66 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.551 ' HB3' HD12 ' A' ' 15' ' ' LEU . 49.0 t -146.59 130.9 17.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.857 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -94.86 160.02 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -55.57 -43.45 75.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -152.86 159.58 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -40.05 -42.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -55.89 19.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.857 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.2 t70 -57.15 -45.49 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 54.0 t -57.78 -55.03 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -49.94 -49.28 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.54 -53.69 42.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.739 ' CE2' HD11 ' A' ' 14' ' ' LEU . 36.2 m95 -58.25 -58.61 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.438 ' HD2' HG21 ' A' ' 63' ' ' THR . 42.4 tttt -43.71 -56.97 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -56.61 -43.45 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m -56.86 -41.64 78.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.721 HD22 ' SD ' ' A' ' 54' ' ' MET . 11.3 mt -68.65 -52.68 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.523 ' NE2' ' CZ ' ' A' ' 113' ' ' ARG . 32.7 mm-40 -52.07 -19.82 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.87 -45.3 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.9 p -62.62 -11.68 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.523 ' CZ ' ' NE2' ' A' ' 110' ' ' GLN . 51.2 mtm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -49.28 -59.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -144.6 142.45 30.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -138.02 136.31 36.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.58 165.28 37.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -77.92 125.46 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.774 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.3 mt -141.99 148.58 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -88.54 151.78 22.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NH1' ' CZ ' ' A' ' 39' ' ' TYR . 47.4 ttt180 -142.24 116.53 9.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.68 106.82 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 p -68.27 164.74 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -96.57 -18.58 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 21' ' ' LEU . 91.5 mt -94.6 -54.43 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 20' ' ' ILE . 11.1 mp -78.1 -13.38 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 46.42 39.35 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -142.81 160.29 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -77.46 115.14 16.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.62 132.09 56.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 124.24 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -133.25 154.81 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 53.5 t-105 -92.49 128.81 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 61.0 m-85 -116.44 148.27 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 3.6 m-20 -155.8 112.78 3.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 37' ' ' LEU . 8.3 tp -88.27 142.85 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.1 m0 -96.15 174.75 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -77.25 -30.11 54.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -7.22 57.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.21 -28.78 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -54.85 135.85 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HB2' HD12 ' A' ' 31' ' ' LEU . 20.4 tp -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 32' ' ' TRP . 47.3 mt -131.46 135.65 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.581 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -125.27 148.87 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 m-85 -118.03 164.71 14.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -66.36 -39.77 89.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p30 -144.22 -178.17 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.5 -28.87 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.2 p -58.43 -13.76 6.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 16.8 mtt85 42.75 41.15 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.34 -12.95 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -129.26 90.02 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.37 97.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -48.92 -68.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 5.9 m-20 -164.08 159.91 21.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.11 137.05 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.2 t -150.46 139.36 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.476 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -82.95 167.51 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -103.8 -70.39 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.78 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.476 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 13.2 t -122.52 -49.12 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.1 m-20 -90.49 -43.15 10.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.56 ' SG ' HG23 ' A' ' 84' ' ' ILE . 36.9 t -85.01 136.1 33.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -114.57 -30.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -140.25 170.69 15.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 54' ' ' MET . 80.3 mt -140.54 108.28 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -97.01 131.45 43.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.55 ' CG2' HD12 ' A' ' 82' ' ' LEU . 59.9 p -145.08 149.06 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.86 -124.86 7.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -88.36 15.56 7.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.405 ' HB3' HD11 ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.79 147.5 62.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.38 21.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -43.7 129.77 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.405 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 87.97 20.79 48.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 18.2 mmtp -146.58 139.58 14.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -164.37 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -102.91 -41.72 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -53.27 -17.71 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.0 p -91.5 15.36 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 72' ' ' PRO . 51.7 mt -99.3 131.59 45.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 109' ' ' LEU . 6.0 tp -127.02 130.49 50.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -131.6 150.58 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.56 HG23 ' SG ' ' A' ' 58' ' ' CYS . 7.8 mm -125.52 117.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -86.53 120.98 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 49.4 m -89.18 175.42 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -72.39 -67.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.91 -60.47 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 33.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -101.9 102.83 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -92.31 126.62 37.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 72.5 mt -106.66 119.51 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -95.78 123.77 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.437 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -128.38 162.67 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.1 t -144.59 131.4 20.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -94.61 171.12 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.54 -35.21 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -158.89 161.55 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.5 m -42.78 -43.45 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -56.23 -44.79 79.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.546 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.2 m-20 -64.77 -51.56 61.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.1 t -55.75 -49.19 73.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.588 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 26.3 mt -58.01 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.34 -45.87 17.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.774 ' NE1' HD11 ' A' ' 14' ' ' LEU . 37.4 m95 -69.8 -41.81 74.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -58.59 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 15.1 m-85 -56.44 -45.64 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.7 m -65.66 -46.66 78.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.593 ' CD1' HD21 ' A' ' 82' ' ' LEU . 24.0 mt -62.58 -37.03 84.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -66.84 -27.65 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -94.14 -13.98 26.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.3 p -84.96 -24.22 28.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.7 t -48.85 -60.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 41.9 tttp -148.61 128.85 13.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.487 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 62.4 p -118.23 133.1 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.94 177.91 40.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.688 ' O ' HD23 ' A' ' 14' ' ' LEU . 77.0 m95 -97.79 144.02 27.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' NE1' ' A' ' 105' ' ' TRP . 58.8 mt -155.6 147.51 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.56 122.13 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -111.46 126.49 55.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -75.25 129.53 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -91.83 159.37 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 p -100.74 5.69 43.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.0 -27.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.69 -5.69 15.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp 41.43 45.74 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -150.02 162.22 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -83.66 129.13 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 136.37 52.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.558 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.6 tttm -68.99 132.73 47.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -139.4 165.96 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.484 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 51.4 t-105 -111.23 110.01 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 74.0 m-85 -98.65 156.18 16.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.487 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 32.4 m-20 -158.77 112.87 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' VAL . 10.7 tp -88.35 139.67 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.403 ' NE1' HD12 ' A' ' 38' ' ' ILE . 10.0 m0 -92.45 155.02 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -54.95 -31.63 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.4 -24.25 60.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.24 -26.03 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -52.48 140.71 21.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 tp -118.16 130.02 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.503 HD11 ' HE2' ' A' ' 51' ' ' LYS . 57.1 mt -138.28 129.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -116.21 156.35 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 41.5 m-85 -123.57 172.5 8.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -75.23 -34.0 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.7 p30 -153.68 178.43 9.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -56.66 -34.02 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.0 p -56.89 -20.18 21.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.511 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 55.0 mtm180 45.59 40.17 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -100.3 -15.72 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -125.23 78.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.5 mt -48.19 120.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 11.1 mm-40 -72.02 -56.12 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.543 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -174.06 160.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HE2' HD11 ' A' ' 38' ' ' ILE . 18.6 ttmt -123.35 138.07 54.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG13 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -153.34 150.02 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -93.18 165.7 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.4 mmm -100.95 -69.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.84 3.86 2.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -123.19 -49.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.469 ' CB ' HG13 ' A' ' 52' ' ' VAL . 2.6 t0 -87.34 -49.99 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.699 ' SG ' HG23 ' A' ' 84' ' ' ILE . 47.0 t -75.39 117.83 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 87' ' ' ARG . 20.0 pt -99.84 -30.21 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -143.32 168.92 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.65 126.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -110.5 142.33 42.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.785 HG21 ' HD2' ' A' ' 106' ' ' LYS . 19.6 p -146.19 133.64 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.91 -131.66 10.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.468 ' CD2' ' HG2' ' A' ' 78' ' ' ARG . 73.7 m-70 -85.45 29.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.91 65.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.04 32.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.07 124.6 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.13 18.12 34.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -144.36 139.61 15.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -166.38 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HD2' HD12 ' A' ' 81' ' ' LEU . 8.0 tpt180 -96.38 -43.41 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.2 -19.2 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.87 14.7 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD12 ' HD2' ' A' ' 78' ' ' ARG . 48.5 mt -102.24 137.45 40.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 HD11 ' A' ' 109' ' ' LEU . 7.0 tp -134.49 119.91 19.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -115.57 139.88 49.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.699 HG23 ' SG ' ' A' ' 58' ' ' CYS . 39.8 mm -117.54 96.03 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.42 103.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.6 m -65.01 -176.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 59' ' ' ILE . 3.7 ttt180 -101.62 -50.74 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' GLY . 9.1 m-20 -79.14 70.57 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 35.71 85.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 91' ' ' THR . 37.9 tttt -174.8 160.3 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.477 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 54.9 m -151.59 142.52 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -115.17 116.2 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.58 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.5 mt -112.34 159.64 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.6 t -143.86 128.9 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -90.36 157.47 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.73 -42.75 93.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.8 p -148.77 162.38 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.8 m -43.71 -44.1 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -49.86 71.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.468 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 4.4 m-20 -58.54 -49.92 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.5 t -53.75 -48.97 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.77 -45.88 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.96 -56.15 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.784 ' NE1' HD11 ' A' ' 14' ' ' LEU . 27.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.785 ' HD2' HG21 ' A' ' 63' ' ' THR . 20.1 tttp -55.05 -49.28 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -56.36 -41.88 76.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -66.17 -43.07 87.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.6 HD11 HD21 ' A' ' 82' ' ' LEU . 14.3 mt -65.88 -51.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -54.14 -20.88 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.93 -45.01 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.5 p -56.77 -35.6 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.511 ' CE2' ' NH1' ' A' ' 45' ' ' ARG . 20.3 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.955 0.407 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.65 -60.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.7 tttp -142.02 144.55 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 p -136.5 131.35 33.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.584 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -160.36 -178.76 34.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 65.2 m95 -96.54 128.93 43.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.856 HD11 ' NE1' ' A' ' 105' ' ' TRP . 56.0 mt -144.09 148.83 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -90.24 147.71 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -133.77 130.23 37.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.29 127.9 34.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -92.75 173.91 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.2 p -107.98 -21.26 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.3 mt -98.43 -39.72 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.2 mp -89.18 -3.13 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' LEU . 46.9 mmtt 34.48 50.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -158.48 173.4 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -94.62 129.87 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -124.72 139.66 53.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 55.2 tttt -66.67 130.34 42.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -137.07 164.67 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 45.5 t-105 -108.42 114.77 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.528 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 70.1 m-85 -100.95 153.69 19.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -157.21 112.0 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.5 tp -85.33 142.98 28.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.4 m0 -96.61 174.46 6.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -75.36 -30.21 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.22 2.32 44.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.52 -36.31 4.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -43.63 134.89 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 tp -117.73 129.8 55.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.619 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 30.1 mt -136.21 128.44 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -115.59 163.92 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 22.2 m-85 -131.91 162.01 31.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.23 -46.53 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -133.63 -175.6 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -69.04 -13.43 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -70.13 -16.54 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.511 ' NH1' ' CE2' ' A' ' 8' ' ' PHE . 35.9 mtm180 41.03 36.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -94.78 -22.95 17.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -121.13 87.52 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 mt -51.37 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -54.92 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 3.3 t70 -171.71 174.4 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.573 ' O ' HG23 ' A' ' 52' ' ' VAL . 24.5 ttmt -136.83 143.86 43.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 51' ' ' LYS . 19.7 t -160.07 129.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -75.22 167.05 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.643 ' SD ' HD22 ' A' ' 109' ' ' LEU . 25.7 mmm -103.49 -70.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.2 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.616 2.211 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 39.4 t -122.69 -47.23 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' OD2' HG13 ' A' ' 52' ' ' VAL . 6.5 t0 -87.08 -46.07 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.401 ' SG ' HG23 ' A' ' 84' ' ' ILE . 9.6 t -84.58 139.73 31.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.9 -23.75 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -142.79 158.12 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 ' HE1' ' A' ' 54' ' ' MET . 86.7 mt -134.46 109.03 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 66' ' ' GLU . 14.4 mtp180 -97.6 146.05 25.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.597 HG21 ' HD2' ' A' ' 106' ' ' LYS . 10.7 p -146.12 137.3 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.22 -116.91 4.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.415 ' ND1' ' HD3' ' A' ' 78' ' ' ARG . 26.9 m80 -87.68 -17.69 31.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . 8.9 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.576 0.703 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.53 ' HD3' HD11 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.79 160.54 49.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.46 21.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -39.85 116.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.96 -29.87 6.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -102.74 143.7 27.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -166.57 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HD3' ' ND1' ' A' ' 65' ' ' HIS . 7.2 ttt85 -98.77 -38.09 9.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.4 -16.86 39.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 22.7 m -88.9 3.82 50.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.53 HD11 ' HD3' ' A' ' 72' ' ' PRO . 65.2 mt -85.2 132.7 34.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 63' ' ' THR . 5.6 tp -131.89 117.78 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -113.81 146.36 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.401 HG23 ' SG ' ' A' ' 58' ' ' CYS . 3.3 mm -125.1 108.37 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -80.26 116.88 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.8 m -90.14 -176.2 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -84.53 -45.18 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 90' ' ' LYS . 10.5 m-20 -77.11 57.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 36.51 30.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' ASP . 22.1 tptt -100.03 139.22 36.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -133.92 137.45 44.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.47 117.42 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -88.29 115.08 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.528 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 67.2 mt -116.99 162.57 17.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -148.52 133.49 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.89 -179.84 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.0 -29.11 13.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 t -145.78 146.4 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -41.45 -45.34 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.81 -45.95 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -48.82 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.4 t -56.76 -53.65 55.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.438 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 8.1 mt -52.68 -50.99 62.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.65 -55.79 10.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.856 ' NE1' HD11 ' A' ' 14' ' ' LEU . 18.3 m95 -53.34 -51.81 61.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.597 ' HD2' HG21 ' A' ' 63' ' ' THR . 23.6 tttp -54.27 -51.45 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.438 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 21.2 m-85 -56.35 -45.02 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.8 m -59.4 -50.44 73.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.643 HD22 ' SD ' ' A' ' 54' ' ' MET . 7.4 mt -61.22 -58.37 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -44.53 -25.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -85.73 -40.37 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -13.4 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 16.7 mtm105 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.9 t -47.33 -53.42 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -146.99 139.28 24.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 97.7 p -134.28 142.4 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.04 31.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.845 ' O ' HD23 ' A' ' 14' ' ' LEU . 93.8 m95 -76.87 136.98 38.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 13' ' ' TRP . 39.7 mt -151.17 140.28 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.25 136.88 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -126.72 131.17 51.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.17 123.36 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -103.66 159.25 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -86.73 -27.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 mm -82.54 -27.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.4 mt -103.38 -22.53 13.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm 46.92 39.71 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -157.32 148.57 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -67.96 117.08 9.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -120.52 127.92 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 134.43 27.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -144.24 156.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.478 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 74.4 t-105 -103.77 127.62 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 58.9 m-85 -116.44 149.8 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.423 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.5 m-20 -152.54 116.78 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 37' ' ' LEU . 6.6 tp -92.42 134.11 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -89.32 164.99 14.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -67.3 -30.35 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.08 -3.98 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.99 -35.71 4.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -46.76 135.24 9.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 31' ' ' LEU . 26.5 tp -118.81 130.18 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 mt -135.05 129.11 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -116.11 155.26 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.7 m-85 -125.03 168.34 13.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.42 -34.9 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.09 -177.95 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -25.42 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -56.26 -28.4 58.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 58.23 39.79 25.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -94.47 -40.52 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.6 m -111.26 103.68 12.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.5 108.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.64 -63.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -168.11 177.68 5.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -137.12 136.15 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.619 HG13 ' OD2' ' A' ' 57' ' ' ASP . 23.8 t -152.01 142.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.469 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -88.59 166.88 13.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.3 mmm -101.13 -70.25 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -121.99 -50.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.619 ' OD2' HG13 ' A' ' 52' ' ' VAL . 4.3 t70 -86.33 -43.73 12.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.437 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . 1.5 t -86.11 133.92 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.4 -30.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -143.51 147.08 33.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.415 HD12 ' OE1' ' A' ' 110' ' ' GLN . 47.5 mt -116.01 115.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -106.58 138.17 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.531 HG22 HD12 ' A' ' 82' ' ' LEU . 44.2 p -144.1 161.89 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.36 -101.48 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -103.71 -31.53 9.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.909 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 160.13 50.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.287 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 54.2 Cg_endo -69.69 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -97.59 120.03 37.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.08 -7.06 56.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 11.0 mmmt -115.59 141.0 26.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.384 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.0 ttm-85 -96.85 -32.68 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.06 -15.24 55.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.4 m -90.23 8.08 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.06 116.7 27.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.531 HD12 HG22 ' A' ' 63' ' ' THR . 3.8 tp -112.73 140.91 47.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.415 ' O ' HD13 ' A' ' 84' ' ' ILE . 16.1 tt0 -139.51 159.99 40.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 58' ' ' CYS . 4.1 mm -140.46 114.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.32 129.03 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.09 -178.66 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -72.69 -63.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.36 -63.72 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.69 33.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -100.75 105.8 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -95.03 131.67 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.0 mt -107.29 123.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 120.17 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.451 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 30.0 mt -130.31 157.41 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 t -142.99 149.85 38.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.07 -176.05 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 6.7 tt0 -101.61 -29.4 11.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -143.97 135.85 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.9 m -40.54 -39.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -54.81 -43.62 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.1 -57.14 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.16 -48.52 23.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.9 mt -60.13 -40.47 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.96 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.679 ' NE1' HD11 ' A' ' 14' ' ' LEU . 20.0 m95 -59.57 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -56.94 -57.43 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.4 m-85 -52.0 -41.09 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.9 m -66.02 -46.71 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.605 HD22 ' SD ' ' A' ' 54' ' ' MET . 9.5 mt -61.8 -35.58 78.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.415 ' OE1' HD12 ' A' ' 61' ' ' ILE . 14.5 mm-40 -72.24 -34.7 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.1 -29.69 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -74.56 -21.19 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 113' ' ' ARG . 13.9 mtp-105 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.45 -59.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 40.1 tttp -149.15 140.99 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.6 p -130.24 133.32 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.526 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.82 175.91 41.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.654 ' O ' HD23 ' A' ' 14' ' ' LEU . 76.8 m95 -89.11 139.2 30.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.758 HD11 ' NE1' ' A' ' 105' ' ' TRP . 51.5 mt -153.83 147.36 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 26' ' ' LYS . 5.2 mt -88.48 150.0 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -136.44 110.79 8.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.97 105.12 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 m -70.26 -178.57 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -107.57 -24.59 11.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.6 mt -86.74 -48.25 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.03 -14.47 50.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt 40.83 49.74 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -152.69 153.12 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.47 114.23 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.4 135.51 53.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.629 ' HA ' HD23 ' A' ' 15' ' ' LEU . 15.1 tttm -64.19 133.37 52.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -142.46 165.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 64.2 t-105 -107.9 129.73 55.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 52.8 m-85 -117.64 160.3 21.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 27.7 m-20 -162.18 118.27 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -92.81 143.68 26.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.444 ' NE1' HD12 ' A' ' 38' ' ' ILE . 12.0 m95 -98.2 151.78 20.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 t -52.32 -31.66 34.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.4 -22.03 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.7 -30.51 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -50.1 136.29 19.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.02 129.78 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.444 HD12 ' NE1' ' A' ' 32' ' ' TRP . 59.3 mt -134.24 131.56 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -118.93 157.68 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 46.3 m-85 -124.51 172.04 9.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.06 -30.18 60.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -157.91 -175.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -71.94 -6.83 44.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -75.25 -22.95 57.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.467 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 37.3 mtt180 51.9 28.8 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -82.91 -43.23 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -114.72 103.6 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mt -65.35 117.42 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.33 -62.01 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.6 t70 -171.7 166.21 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 52' ' ' VAL . 17.2 ttpp -130.51 141.57 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 51' ' ' LYS . 22.3 t -155.92 148.3 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -93.67 167.66 11.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.629 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.0 mmm -103.03 -70.35 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.0 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.479 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -120.62 -53.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 5.0 m-20 -85.01 -46.46 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.84 148.2 27.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 pt -120.91 -28.81 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.3 161.25 41.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.429 HD12 ' HG2' ' A' ' 110' ' ' GLN . 20.9 mt -122.45 120.89 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.627 ' HE ' HG21 ' A' ' 85' ' ' VAL . 73.9 mtt-85 -112.4 123.46 50.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.615 HG22 HD12 ' A' ' 82' ' ' LEU . 68.7 p -127.41 138.18 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -122.7 9.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -64.83 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.709 0.29 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.567 ' HB3' HD21 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.72 164.15 35.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.94 149.88 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.81 38.52 30.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -146.94 136.42 11.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.723 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -173.79 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HG2' HD12 ' A' ' 81' ' ' LEU . 11.4 ttm180 -105.41 -22.04 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -73.59 -7.74 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -101.16 11.44 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 72' ' ' PRO . 88.9 mt -91.48 142.18 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.615 HD12 HG22 ' A' ' 63' ' ' THR . 4.1 tp -133.07 123.91 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -124.32 150.79 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mm -127.65 127.69 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.627 HG21 ' HE ' ' A' ' 62' ' ' ARG . 47.2 t -95.31 132.26 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.5 m -96.47 -175.45 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -90.73 -18.13 25.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -105.51 25.57 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.27 -25.21 4.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -48.61 133.3 16.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -132.1 135.75 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -111.89 127.72 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.32 126.69 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 55.9 mt -131.67 163.16 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 49.1 t -144.79 146.17 32.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -109.79 161.57 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -57.54 -36.09 71.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -160.04 168.77 24.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.8 m -46.96 -46.61 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.52 -48.36 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.453 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 6.1 m-20 -62.97 -40.46 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 35.3 t -62.81 -56.54 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.59 -44.76 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.1 -59.24 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.758 ' NE1' HD11 ' A' ' 14' ' ' LEU . 30.6 m95 -53.7 -53.44 52.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -47.52 -59.74 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -50.89 -37.58 44.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.2 m -66.35 -53.09 40.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 11.3 mt -60.19 -48.4 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.429 ' HG2' HD12 ' A' ' 61' ' ' ILE . 35.9 mt-30 -55.41 -25.4 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -87.94 -40.1 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 p -61.6 -14.97 34.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -44.65 -57.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -148.08 143.01 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -133.46 140.44 47.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.15 166.39 39.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.692 ' O ' HD23 ' A' ' 14' ' ' LEU . 74.4 m95 -78.23 142.94 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 13' ' ' TRP . 39.2 mt -157.78 141.75 15.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.496 HD23 ' CA ' ' A' ' 26' ' ' LYS . 32.4 mt -85.22 146.84 26.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -136.49 138.32 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.81 102.61 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -73.73 150.96 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -83.61 -5.11 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.176 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.83 -49.29 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 -8.53 49.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 43.5 40.12 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 3.3 ptm85 -144.16 169.73 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -88.37 119.59 28.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -123.61 133.92 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.21 129.27 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -136.09 164.74 27.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 65.5 t-105 -104.74 123.99 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 45.3 m-85 -113.0 154.58 26.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.3 m-20 -156.92 119.86 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.76 140.87 29.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -94.93 172.0 8.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.1 p -74.84 -23.5 58.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.97 -0.35 57.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.39 -28.09 17.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -51.95 135.55 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 30' ' ' ASP . 35.6 tp -118.31 129.76 55.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.503 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 22.0 mt -134.43 132.81 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -121.02 160.52 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.92 160.94 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.34 -41.52 80.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 -176.1 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -62.24 -19.28 63.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.1 p -65.96 -30.87 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 57.4 45.92 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.38 -23.9 15.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -130.23 102.16 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.38 100.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -46.26 -71.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.432 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 20.3 m-20 -163.66 160.89 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . 21.8 ttpt -124.68 141.83 51.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' LYS . 20.2 t -158.51 136.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.482 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -79.78 167.35 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.3 mmm -103.85 -70.23 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.4 Cg_endo -69.74 2.48 3.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 16.7 t -121.38 -48.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -92.19 -47.12 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.575 ' SG ' HG23 ' A' ' 84' ' ' ILE . 41.8 t -78.6 119.95 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.404 HD11 ' CG ' ' A' ' 88' ' ' ASP . 14.5 pt -101.79 -29.33 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -141.8 170.59 15.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mt -139.3 112.93 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -100.19 117.23 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.6 p -133.36 157.01 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.56 -113.27 3.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.6 m80 -92.78 -17.84 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 140.86 43.47 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 131.27 20.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -42.21 136.13 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.09 -1.66 80.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -124.58 139.45 33.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.53 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 65' ' ' HIS . 3.1 mtp180 -97.92 -41.97 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.58 -20.99 23.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.4 m -81.88 14.94 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.2 mt -100.06 129.28 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.672 HD21 HD11 ' A' ' 109' ' ' LEU . 5.4 tp -127.88 127.11 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.574 ' OE1' HG21 ' A' ' 91' ' ' THR . 6.2 tt0 -127.22 151.61 48.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.575 HG23 ' SG ' ' A' ' 58' ' ' CYS . 10.2 mm -130.97 97.93 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.66 106.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ARG . 28.6 t -91.24 116.46 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' CYS . 18.1 mtp180 34.21 36.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 86' ' ' CYS . 14.3 m-20 46.78 52.96 10.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.48 -51.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -115.82 90.8 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.574 HG21 ' OE1' ' A' ' 83' ' ' GLN . 92.4 m -79.51 133.12 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -108.09 115.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.65 116.3 28.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.555 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.4 mt -123.08 168.43 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.7 t -156.71 126.22 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.564 ' HB3' ' HB2' ' A' ' 102' ' ' CYS . . . -87.46 177.01 7.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -89.07 -48.9 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 101' ' ' ASP . 4.4 m -123.65 145.68 48.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.4 m -39.92 -44.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -41.76 93.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.7 OUTLIER -61.63 -46.27 90.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 40.5 t -63.09 -53.16 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.1 mt -56.55 -55.13 37.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -40.09 -48.62 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.688 ' NE1' HD11 ' A' ' 14' ' ' LEU . 31.5 m95 -62.63 -55.05 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 109' ' ' LEU . 33.5 tttm -44.32 -59.68 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -44.77 -51.68 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 m -60.05 -40.7 90.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.672 HD11 HD21 ' A' ' 82' ' ' LEU . 43.8 mt -63.59 -54.82 29.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.96 -42.47 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' SER . 5.4 t70 -65.81 -58.09 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.5 m -36.91 -37.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 13.1 mtp-105 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.45 -58.62 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -143.44 127.83 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -117.14 128.68 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.476 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -164.96 172.92 40.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 82.3 m95 -92.45 130.82 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.809 HD11 ' NE1' ' A' ' 105' ' ' TRP . 60.6 mt -142.78 144.49 32.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 26' ' ' LYS . 81.7 mt -79.1 146.45 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -141.2 127.79 20.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -85.17 117.33 24.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -80.3 177.55 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.5 p -98.44 -29.27 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.7 -45.8 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.31 -23.7 46.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 42.36 48.8 4.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -150.49 151.09 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -75.07 116.71 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -125.8 135.91 52.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.36 130.74 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -135.86 165.11 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.476 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 27.4 t-105 -98.1 117.95 33.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 31.7 m-85 -105.99 151.87 24.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -156.21 112.6 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 37' ' ' LEU . 7.6 tp -88.14 148.64 24.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -101.6 150.17 23.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -51.84 -38.87 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.808 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -69.3 -28.93 66.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.99 -27.47 3.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -53.61 136.11 39.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HB2' HD12 ' A' ' 31' ' ' LEU . 28.4 tp -116.87 130.16 56.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.648 HD11 ' HE2' ' A' ' 51' ' ' LYS . 73.8 mt -137.45 128.09 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -116.0 157.61 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.71 ' CD2' HD13 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -122.83 178.88 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.13 -37.99 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -145.5 178.67 7.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.43 -14.41 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -67.27 -24.41 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 28.8 mtt85 56.88 28.79 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -91.99 -27.04 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -120.37 110.71 16.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.71 HD13 ' CD2' ' A' ' 40' ' ' TYR . 39.2 mm -75.55 129.55 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.73 -51.09 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 t70 -174.29 -178.92 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.648 ' HE2' HD11 ' A' ' 38' ' ' ILE . 19.6 ttmt -147.6 137.81 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 51' ' ' LYS . 32.2 t -157.79 151.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.477 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -97.77 167.16 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.4 mmm -103.9 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.2 Cg_endo -69.7 2.73 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 15.5 t -121.79 -47.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.1 m-20 -92.63 -47.72 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.533 ' SG ' HG23 ' A' ' 84' ' ' ILE . 43.8 t -76.93 144.99 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 pt -127.77 -29.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.406 ' CA ' HH22 ' A' ' 113' ' ' ARG . 5.2 t30 -143.05 158.33 43.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.507 HD11 ' HE1' ' A' ' 54' ' ' MET . 20.4 mt -131.17 111.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -91.14 119.36 31.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.52 ' CG2' HD12 ' A' ' 82' ' ' LEU . 32.1 p -140.4 134.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.58 -114.74 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -89.74 31.41 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.765 0.316 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.91 61.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.75 23.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -44.45 115.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.65 -38.47 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -87.49 142.99 33.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -167.03 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.472 ' HG2' HD12 ' A' ' 81' ' ' LEU . 11.0 ttt85 -104.15 -33.86 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -67.5 -6.46 19.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.66 10.01 42.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' A' ' 78' ' ' ARG . 63.1 mt -91.99 127.79 37.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.637 HD21 HD11 ' A' ' 109' ' ' LEU . 8.3 tp -122.4 126.06 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.647 ' OE1' HG21 ' A' ' 91' ' ' THR . 5.8 tt0 -121.47 147.63 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.559 HD13 ' O ' ' A' ' 83' ' ' GLN . 36.3 mm -126.95 92.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -73.78 124.3 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.53 -179.41 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 44.6 mtt180 -68.4 -59.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.98 -67.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.67 -37.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' GLY . 32.2 tttm -35.34 120.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.647 HG21 ' OE1' ' A' ' 83' ' ' GLN . 38.1 m -114.65 137.83 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.2 mt -107.82 122.15 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -98.74 113.56 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.1 mt -120.76 164.59 16.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -149.98 138.39 20.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -105.04 154.86 19.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -45.91 -41.14 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 t -159.24 164.86 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.1 m -42.74 -54.71 3.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -43.92 -46.12 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.577 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.0 m-20 -65.03 -55.56 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.7 t -49.28 -54.8 15.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.4 mt -48.62 -52.76 21.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.11 -56.89 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.809 ' NE1' HD11 ' A' ' 14' ' ' LEU . 43.4 m95 -58.4 -55.1 39.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 109' ' ' LEU . 25.6 tttm -41.12 -59.48 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -46.42 -49.91 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.2 m -58.08 -39.88 79.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 82' ' ' LEU . 21.8 mt -68.87 -57.79 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -52.95 -26.47 15.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.61 -34.63 17.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 p -71.71 -20.75 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.412 ' NH2' HG13 ' A' ' 61' ' ' ILE . 6.3 ptp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 t -60.11 -58.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 105' ' ' TRP . 52.6 tttt -143.92 134.37 24.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.7 p -132.29 139.39 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.62 176.15 45.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.425 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 72.8 m95 -92.09 139.08 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.799 HD11 ' NE1' ' A' ' 105' ' ' TRP . 69.1 mt -151.98 149.29 28.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 17.1 mt -80.31 151.52 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -146.83 120.82 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -81.61 106.32 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 p -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.4 p -93.67 -34.51 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -78.65 -66.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' LYS . 30.6 mt -65.48 -15.91 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' LEU . 25.8 mtmt 37.96 54.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -153.17 158.25 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 71' ' ' GLN . 95.3 m95 -80.75 106.95 13.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -113.88 143.08 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 1.2 tppt? -75.09 127.47 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -131.26 174.9 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.425 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 59.1 t-105 -110.66 113.94 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 69.4 m-85 -105.68 143.92 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.96 125.41 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 tp -93.9 145.91 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.691 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.2 m0 -100.5 157.63 16.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -59.63 -35.95 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.91 -9.27 58.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.82 -36.71 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.482 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 14.5 m80 -43.43 135.04 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -116.88 130.03 56.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.691 HD12 ' CE2' ' A' ' 32' ' ' TRP . 35.4 mt -134.31 136.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.543 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -126.43 150.83 48.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CE2' HG12 ' A' ' 48' ' ' ILE . 48.1 m-85 -118.39 168.87 10.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.49 -44.9 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -140.26 177.4 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -62.74 -8.48 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p -77.53 -18.56 56.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 63.6 mtt180 49.35 41.63 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -99.62 -30.58 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.04 86.73 2.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.554 HG12 ' CE2' ' A' ' 40' ' ' TYR . 97.0 mt -56.14 111.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.77 -61.23 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 27.7 t70 -173.4 158.22 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -123.5 133.25 54.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -153.28 136.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 2.6 t-160 -78.97 167.32 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.839 ' HE1' HD11 ' A' ' 61' ' ' ILE . 27.0 mmm -102.87 -70.36 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 3.4 t -122.36 -50.42 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -89.58 -52.47 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.602 ' SG ' HG23 ' A' ' 84' ' ' ILE . 37.5 t -69.86 125.18 25.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.39 -23.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.16 152.02 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.839 HD11 ' HE1' ' A' ' 54' ' ' MET . 89.8 mt -123.53 113.01 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -97.16 122.27 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 HG22 ' A' ' 61' ' ' ILE . 48.9 p -138.05 145.56 41.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 -106.63 2.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' GLU . 91.4 m-70 -93.07 -35.0 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.737 0.303 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' HIS . 6.7 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 13.6 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.2 Cg_endo -69.77 148.46 65.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.91 55.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -55.83 128.14 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 21.95 38.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -143.68 136.73 13.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.552 0.692 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.27 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -96.07 -37.3 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.3 -12.49 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.3 p -93.99 12.04 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 72' ' ' PRO . 88.6 mt -98.17 128.94 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.574 HD21 HD11 ' A' ' 109' ' ' LEU . 5.1 tp -120.69 125.91 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.41 ' OE1' HG21 ' A' ' 91' ' ' THR . 11.3 tt0 -127.9 149.74 50.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.602 HG23 ' SG ' ' A' ' 58' ' ' CYS . 11.8 mm -130.83 100.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.57 141.02 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.1 m -106.81 -175.0 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -84.99 -38.59 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.26 24.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 84.9 -36.91 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLY . 62.8 tttm -35.22 148.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.41 HG21 ' OE1' ' A' ' 83' ' ' GLN . 20.2 m -150.84 137.5 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.0 mt -107.9 122.38 62.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -93.88 117.93 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 7.1 mt -128.56 164.71 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.9 t -153.63 137.21 15.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -103.73 159.47 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -50.36 -56.0 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.5 p -135.03 163.67 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.5 m -44.17 -54.41 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -46.16 -46.34 17.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.631 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 33.3 m-20 -59.59 -47.69 84.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.83 -56.2 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.3 mt -47.59 -48.15 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.403 ' HB1' ' NZ ' ' A' ' 10' ' ' LYS . . . -47.1 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.799 ' NE1' HD11 ' A' ' 14' ' ' LEU . 39.0 m95 -53.08 -55.89 20.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -42.18 -58.28 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 22.4 m-85 -45.86 -49.14 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.1 m -62.28 -51.99 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.574 HD11 HD21 ' A' ' 82' ' ' LEU . 39.0 mt -53.01 -48.45 67.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -62.93 -35.77 81.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.24 -35.4 78.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 p -65.85 -12.32 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 12.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -49.5 -62.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 46.4 tttp -136.08 144.44 45.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 39.5 p -136.98 141.85 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -177.24 175.16 47.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.537 ' O ' HD23 ' A' ' 14' ' ' LEU . 85.4 m95 -92.73 137.32 32.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.579 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.1 mt -147.82 142.36 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.1 126.83 33.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -121.23 115.6 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -71.91 122.88 21.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -98.6 170.0 9.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -87.31 -35.36 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -71.58 -68.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.1 mt -65.6 -8.25 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.2 mtmp? 35.39 54.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -166.21 167.23 16.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -80.27 125.51 29.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -126.29 128.63 47.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -63.89 132.22 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -136.43 175.93 9.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 57.6 t-105 -115.09 113.32 23.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 35.8 m-85 -100.11 150.14 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.52 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 7.1 m-20 -154.74 112.83 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 tp -85.74 140.58 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.3 161.2 14.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 p -66.77 -24.56 66.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.74 9.97 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 -38.89 3.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -43.07 135.21 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 tp -120.26 129.67 54.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.4 mt -136.11 134.72 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 1.7 p90 -123.91 152.06 42.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' A' ' 45' ' ' ARG . 21.8 m-85 -117.29 178.96 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 19.4 t0 -81.36 -22.77 38.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 64.6 m-20 -163.61 -174.97 3.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.556 ' NE2' ' H ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -76.64 47.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 p -114.76 -14.72 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.453 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 15.7 mtt180 41.15 29.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -119.26 -33.35 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -102.83 76.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.426 HG12 ' CE2' ' A' ' 40' ' ' TYR . 82.2 mt -55.81 116.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -73.3 -48.37 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 26.8 t0 -169.45 172.07 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -140.99 134.01 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG13 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -152.58 137.11 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.465 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -82.56 166.46 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.625 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.5 mmm -101.12 -70.05 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.625 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.73 3.36 2.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.465 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -122.38 -50.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.443 ' CB ' HG13 ' A' ' 52' ' ' VAL . 1.3 t70 -84.1 -61.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.38 133.89 48.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.405 HG23 ' HG3' ' A' ' 87' ' ' ARG . 5.0 pt -109.98 -27.87 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -139.91 161.61 37.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.606 HD11 ' HE1' ' A' ' 54' ' ' MET . 89.3 mt -135.31 126.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.652 ' NH1' HG21 ' A' ' 85' ' ' VAL . 15.6 mtt85 -125.55 148.91 48.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.793 HG22 HD12 ' A' ' 82' ' ' LEU . 15.3 p -138.76 152.47 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.34 -139.3 41.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -51.44 -36.01 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD3' ' NH1' ' A' ' 78' ' ' ARG . 53.8 Cg_endo -69.77 155.19 66.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -164.62 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.44 149.54 30.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.81 15.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HZ1' ' HA ' ' A' ' 97' ' ' GLU . 14.6 mmtt -146.41 131.94 9.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 173.62 10.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.318 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' NH1' ' HD3' ' A' ' 72' ' ' PRO . 9.4 ttm-85 -102.23 11.78 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.53 -13.04 16.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.58 5.4 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -74.93 141.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.793 HD12 HG22 ' A' ' 63' ' ' THR . 6.2 tp -133.99 133.92 41.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -131.82 153.22 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.67 127.71 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.652 HG21 ' NH1' ' A' ' 62' ' ' ARG . 39.3 t -95.63 120.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.3 m -88.45 -175.72 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' HG3' HG23 ' A' ' 59' ' ' ILE . 22.8 mtp85 -89.99 -9.14 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -106.38 44.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 47.33 20.62 0.95 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -89.65 156.67 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.6 m -140.46 128.73 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 118.51 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 m -88.27 122.76 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.9 mt -128.38 164.35 22.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 t -144.55 137.44 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 97' ' ' GLU . . . -104.89 141.23 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.504 ' HA ' ' HZ1' ' A' ' 76' ' ' LYS . 5.8 tt0 -37.7 -48.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -146.61 165.41 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -45.54 -54.24 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -49.2 -44.82 43.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.75 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.9 t -61.73 -53.29 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.9 mt -51.83 -49.09 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.53 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.579 ' NE1' HD11 ' A' ' 14' ' ' LEU . 21.6 m95 -64.72 -46.62 81.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.608 ' HD2' HG21 ' A' ' 63' ' ' THR . 30.7 tttp -57.32 -48.15 79.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 23.5 m-85 -58.04 -51.83 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m -62.02 -36.5 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 105' ' ' TRP . 9.3 mt -72.84 -30.35 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -78.63 -37.12 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.92 -20.63 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -81.06 -21.54 39.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.8 t -46.14 -58.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 49.6 tttp -143.17 144.36 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.486 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 82.8 p -133.77 141.37 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.411 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -174.25 158.17 26.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.778 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.3 m95 -77.29 135.59 38.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 13' ' ' TRP . 31.0 mt -148.0 139.75 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -84.29 124.36 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 35.6 ttp85 -112.92 132.03 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -83.8 96.37 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -64.68 174.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 p -97.25 -25.93 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mt -88.91 -58.58 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.13 -14.96 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 39.68 52.77 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -166.01 164.72 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -76.96 113.68 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -116.47 133.39 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 2.6 ttpm? -63.64 130.57 44.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -137.56 175.11 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.459 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 37.3 t-105 -117.83 112.52 20.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 63.5 m-85 -98.69 148.93 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.486 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 72.3 m-20 -155.35 114.15 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 37' ' ' LEU . 8.5 tp -86.83 147.02 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.0 m0 -100.35 171.53 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 t -71.39 -29.74 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.02 8.15 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.43 -34.47 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -46.42 134.27 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.63 ' HB2' HD12 ' A' ' 31' ' ' LEU . 19.7 tp -117.06 129.53 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.708 HD11 ' HE2' ' A' ' 51' ' ' LYS . 42.0 mt -135.19 132.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 1.2 p90 -119.9 159.97 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.541 ' CE2' ' HG2' ' A' ' 45' ' ' ARG . 26.2 m-85 -125.35 175.31 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 16.0 t0 -74.01 -28.15 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 19.6 m-20 -161.82 -175.51 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.63 ' NE2' ' H ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -75.76 48.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.416 HG23 ' OE1' ' A' ' 43' ' ' GLN . 7.0 p -118.55 -27.14 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 60.6 mtt180 55.76 36.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -120.37 -29.91 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.8 t -104.72 68.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.0 mt -46.06 92.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' SER . 32.0 mm-40 -51.53 -59.26 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 10.5 t0 -167.11 176.47 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.708 ' HE2' HD11 ' A' ' 38' ' ' ILE . 28.0 ttmt -141.69 130.12 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.0 t -142.7 138.23 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.471 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.96 166.99 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.2 mmm -102.19 -69.99 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.679 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.8 1.71 4.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.9 t -121.05 -48.21 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 1.1 t70 -88.33 -44.86 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 84' ' ' ILE . 13.0 t -85.96 138.72 31.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -119.89 -29.54 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -138.07 149.16 45.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.6 HD11 ' HE1' ' A' ' 54' ' ' MET . 79.7 mt -122.88 134.55 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -132.06 149.32 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.41 ' CG2' HD12 ' A' ' 82' ' ' LEU . 1.3 p -138.68 132.82 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.86 -133.74 31.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -50.73 -47.91 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HA ' HD21 ' A' ' 81' ' ' LEU . 53.1 Cg_endo -69.83 154.67 67.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.0 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.48 140.08 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 61.2 41.05 99.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 8.6 mmmm -153.75 137.68 10.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.65 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -103.91 -34.55 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.28 -12.46 41.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.5 p -93.44 10.29 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.427 HD21 ' HA ' ' A' ' 72' ' ' PRO . 81.3 mt -89.0 138.75 31.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.594 HD23 HD12 ' A' ' 94' ' ' LEU . 6.9 tp -130.45 127.9 40.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.437 ' HG2' HG23 ' A' ' 91' ' ' THR . 10.4 tt0 -122.79 153.3 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 83' ' ' GLN . 13.2 mm -133.66 114.18 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.99 110.08 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 98.1 m -83.26 -177.4 6.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -79.71 -39.57 30.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' LYS . 7.0 t0 -88.89 53.26 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.46 26.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 88' ' ' ASP . 75.9 tttt -92.61 95.15 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.437 HG23 ' HG2' ' A' ' 83' ' ' GLN . 91.2 m -87.21 126.79 35.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.43 118.92 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m -88.47 119.34 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.594 HD12 HD23 ' A' ' 82' ' ' LEU . 41.8 mt -123.34 155.59 36.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 t -138.95 134.8 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -102.45 154.15 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.69 -50.7 72.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 t -137.59 151.0 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.6 m -38.76 -37.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -55.9 -51.02 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.897 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.3 t70 -57.45 -52.73 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.2 -53.67 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -55.1 -50.52 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.67 70.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.572 ' NE1' HD11 ' A' ' 14' ' ' LEU . 19.4 m95 -66.27 -49.51 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -53.61 -54.56 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -54.48 -46.06 73.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.7 m -61.24 -47.57 85.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.8 -43.56 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -75.23 -53.23 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.6 p -40.96 -31.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.32 -58.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.2 tttp -147.99 143.59 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 p -135.24 131.55 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -163.41 169.69 38.56 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.845 ' O ' HD23 ' A' ' 14' ' ' LEU . 78.0 m95 -81.62 135.98 35.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.7 mt -151.43 139.08 19.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 26' ' ' LYS . 15.6 mt -81.2 154.58 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -142.72 126.4 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -86.23 106.56 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -84.1 165.68 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.3 p -82.98 -26.19 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.34 -58.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD22 ' HD2' ' A' ' 25' ' ' LYS . 6.1 mp -67.22 -21.15 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 39.56 48.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -164.59 152.46 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -68.74 116.63 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD2' HD22 ' A' ' 21' ' ' LEU . 20.7 ptmt -121.56 128.54 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -52.94 127.77 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -136.96 156.8 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.496 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 38.8 t-105 -103.13 130.06 50.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 50.2 m-85 -117.16 149.98 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -153.52 113.42 3.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -89.41 146.24 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -99.6 147.57 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -50.66 -33.93 24.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -70.71 -33.19 70.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.51 -23.05 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -57.67 139.05 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -116.87 129.72 56.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -137.64 128.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 1.0 OUTLIER -121.45 150.92 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.402 ' CG ' ' HA ' ' A' ' 45' ' ' ARG . 37.6 m-85 -116.76 176.21 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.68 -37.71 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.82 -177.58 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.04 -28.7 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -42.72 -41.53 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 54.5 mtt180 56.22 30.26 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -113.14 -30.25 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -102.63 79.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.28 120.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -78.01 -64.14 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 10.3 m-20 -160.81 153.61 21.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 52' ' ' VAL . 16.1 ttpt -123.18 140.41 53.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 51' ' ' LYS . 29.5 t -157.68 148.41 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.475 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.41 167.16 12.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.4 mmm -103.79 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.77 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.0 t -121.47 -50.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -88.39 -53.47 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.09 122.49 18.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 pt -102.18 -29.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -142.77 159.07 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.8 mt -125.85 112.32 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -105.98 128.78 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.765 HG22 HD12 ' A' ' 82' ' ' LEU . 76.5 p -136.63 136.9 39.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.51 -137.58 19.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.515 ' H ' ' CD2' ' A' ' 65' ' ' HIS . 13.2 m-70 -55.04 -26.42 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.59 68.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.48 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.55 109.05 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.84 8.69 20.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -130.56 140.92 40.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.81 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -94.36 -32.13 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.484 ' OD2' HG23 ' A' ' 99' ' ' THR . 12.3 t70 -65.5 -9.82 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -93.58 12.08 26.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.88 123.66 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.765 HD12 HG22 ' A' ' 63' ' ' THR . 4.9 tp -119.76 135.96 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -133.6 146.89 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.1 mm -126.41 103.58 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -77.85 120.64 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.31 171.74 12.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.62 -61.59 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.15 -63.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 175.16 -30.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' GLY . 35.4 tttp -36.04 101.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -98.88 134.95 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt -110.01 120.11 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.41 120.61 33.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.554 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 11.5 mt -128.51 158.59 37.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 t -144.45 117.89 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.73 170.06 15.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -76.92 -34.12 57.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' ASP . 2.3 t -149.75 146.18 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.484 HG23 ' OD2' ' A' ' 79' ' ' ASP . 28.3 m -36.66 -48.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.95 -44.57 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' SER . 3.3 m-20 -65.12 -36.67 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.87 -39.26 83.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.27 -42.24 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.53 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.569 ' CE2' HD11 ' A' ' 14' ' ' LEU . 28.2 m95 -65.47 -47.42 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.642 ' HD2' HG21 ' A' ' 63' ' ' THR . 37.5 tttp -52.95 -58.07 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -49.89 -48.04 51.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.3 m -58.46 -41.54 85.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.65 -43.55 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.54 -14.44 51.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.93 -42.71 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 p -56.47 -20.29 19.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 4.4 mtm105 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.94 0.4 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.96 -60.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 11' ' ' SER . 49.2 tttp -144.23 151.39 39.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 92.0 p -135.8 145.0 46.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.35 32.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.736 ' O ' HD23 ' A' ' 14' ' ' LEU . 66.0 m95 -82.83 137.84 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 13' ' ' TRP . 34.6 mt -151.58 143.62 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 26' ' ' LYS . 10.7 mt -90.86 139.33 30.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -124.37 133.2 53.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.6 110.03 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -82.18 157.11 24.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -81.71 -55.43 4.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.08 -57.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.3 -38.59 91.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 61.07 46.42 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -157.15 158.18 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -77.16 112.04 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -113.68 130.16 56.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 16.7 tttp -59.52 138.33 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -148.17 156.01 42.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.442 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 43.3 t-105 -95.69 113.65 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 49.5 m-85 -101.59 151.91 21.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.626 ' O ' HD12 ' A' ' 37' ' ' LEU . 6.1 m-20 -159.48 126.8 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 112' ' ' SER . 10.2 tp -95.13 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.845 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 10.9 m95 -100.54 163.96 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.7 p -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.81 16.21 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.55 -39.68 3.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -38.71 134.04 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 30' ' ' ASP . 23.6 tp -119.82 129.68 54.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.845 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 64.7 mt -134.51 126.08 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 142.35 46.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.718 ' CD2' HD13 ' A' ' 48' ' ' ILE . 1.1 m-85 -110.76 155.14 22.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.494 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 3.1 t0 -46.91 -39.7 12.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -175.07 177.02 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.44 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 1.0 OUTLIER -37.79 -27.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' ASP . 52.6 p -40.14 -30.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 43.75 30.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -123.26 -30.98 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 94.63 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.718 HD13 ' CD2' ' A' ' 40' ' ' TYR . 38.2 mm -64.54 120.45 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 11.3 mm-40 -75.15 -56.77 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -175.07 165.67 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 38' ' ' ILE . 25.8 ttmt -129.76 139.86 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -152.85 139.75 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.465 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.93 166.95 15.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.641 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.8 mmm -104.95 -70.49 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.79 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 69.0 t -123.15 -47.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.4 m-20 -92.24 -41.4 10.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.669 ' SG ' HG23 ' A' ' 84' ' ' ILE . 51.9 t -86.53 130.59 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -116.16 -24.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -146.14 153.32 40.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 54' ' ' MET . 87.8 mt -126.78 113.05 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.451 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 69.6 mtt180 -100.1 118.11 35.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.431 HG23 HG22 ' A' ' 61' ' ' ILE . 40.0 p -140.95 137.31 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.12 -104.02 2.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -96.13 36.84 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 20.2 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HD3' HD11 ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.72 148.19 64.79 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 74' ' ' ASP . 53.9 Cg_endo -69.75 131.27 20.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 27.7 t70 -36.35 112.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.06 -39.87 2.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -87.22 142.41 33.52 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -167.07 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -100.19 -38.68 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.46 -17.34 53.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -88.43 11.87 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.446 HD11 ' HD3' ' A' ' 72' ' ' PRO . 69.3 mt -91.64 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD21 HD11 ' A' ' 109' ' ' LEU . 3.0 tp -125.95 132.17 52.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.401 ' HG2' ' CG2' ' A' ' 91' ' ' THR . 21.9 tt0 -135.75 137.21 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.669 HG23 ' SG ' ' A' ' 58' ' ' CYS . 20.5 mm -116.73 101.31 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.12 108.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.45 155.41 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 40.9 mtt180 -51.07 178.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.5 t70 54.63 45.58 26.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 48.11 34.8 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -98.8 158.42 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.401 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 61.0 m -158.16 138.91 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.73 130.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.477 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.5 m -95.96 123.38 39.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 93' ' ' SER . 19.2 mt -136.47 156.26 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 8.9 t -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 152.79 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -48.56 -48.05 38.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 t -148.53 164.66 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -40.31 -50.69 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -51.76 -54.63 26.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -44.95 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 39.9 t -59.25 -62.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.632 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 17.0 mt -44.75 -56.06 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.66 -59.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.483 ' CE2' HD11 ' A' ' 14' ' ' LEU . 39.1 m95 -58.72 -44.92 90.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -53.08 -52.47 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.632 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 26.6 m-85 -52.21 -52.39 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -58.66 -48.26 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 82' ' ' LEU . 25.9 mt -58.51 -44.89 89.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -60.44 -18.72 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -94.31 -53.92 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.541 ' HB3' HD21 ' A' ' 31' ' ' LEU . 87.9 p -48.35 -38.35 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -55.77 -58.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -142.34 136.86 30.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.443 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 73.3 p -129.2 128.79 44.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.61 175.23 37.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.716 ' O ' HD23 ' A' ' 14' ' ' LEU . 72.1 m95 -92.46 131.2 37.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 ' NE1' ' A' ' 105' ' ' TRP . 24.8 mt -148.42 147.75 29.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mt -83.4 155.74 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -145.78 126.77 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.79 108.06 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.17 173.23 11.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 p -109.61 0.99 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -112.48 -39.21 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -99.98 -7.35 25.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 39.46 48.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.4 148.64 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -68.55 111.73 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -114.51 129.2 56.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 5.9 ttpp -60.54 129.87 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 64.1 t-105 -112.21 111.65 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.477 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 65.0 m-85 -99.02 155.61 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.8 m-20 -156.78 112.66 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -88.71 139.83 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.633 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -93.5 175.03 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -76.77 -29.13 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.03 -2.89 56.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.59 -24.55 28.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.435 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -56.08 135.1 53.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 30' ' ' ASP . 28.7 tp -118.01 130.34 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.633 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 21.0 mt -133.03 127.32 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.596 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -114.48 155.75 25.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 32.6 m-85 -123.64 172.1 9.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.42 -46.5 48.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -139.62 179.8 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -59.85 -28.73 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 p -56.77 -21.07 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 55.1 mtm180 47.22 43.14 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.37 -23.07 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.25 93.35 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.2 mt -60.01 108.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.99 -60.49 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.556 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -171.67 164.32 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -126.84 135.35 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.4 t -151.04 140.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.486 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.7 167.65 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.632 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -104.3 -70.62 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.486 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 24.4 t -122.05 -45.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.0 OUTLIER -94.3 -42.3 8.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.563 ' SG ' HG23 ' A' ' 84' ' ' ILE . 27.6 t -85.65 133.3 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.06 -25.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -147.73 157.66 43.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.922 HD12 ' OE1' ' A' ' 110' ' ' GLN . 34.8 mt -129.67 110.81 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -95.41 127.21 41.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.574 ' CG2' HD12 ' A' ' 82' ' ' LEU . 68.2 p -140.73 150.04 42.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.29 -114.86 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -80.47 -24.43 39.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.6 65.5 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.353 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.06 141.58 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.8 47.94 51.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -150.02 122.83 4.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.99 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -97.97 -26.34 14.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.479 ' HB2' HG23 ' A' ' 99' ' ' THR . 0.1 OUTLIER -62.76 -19.05 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 28.0 p -96.03 15.69 19.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.73 132.51 44.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.574 HD12 ' CG2' ' A' ' 63' ' ' THR . 6.1 tp -131.01 137.93 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.654 ' OE1' HG21 ' A' ' 91' ' ' THR . 7.9 tt0 -134.9 163.82 28.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 83' ' ' GLN . 6.6 mm -141.32 111.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.0 124.5 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 30.1 m -89.23 174.57 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.0 -64.36 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -61.86 -48.43 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 161.85 -30.57 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' GLY . 65.8 tttt -34.34 103.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.654 HG21 ' OE1' ' A' ' 83' ' ' GLN . 88.2 m -101.59 134.83 44.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.5 mt -107.35 123.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 m -94.48 122.95 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.477 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 56.9 mt -131.29 163.37 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 t -146.57 138.55 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.847 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -98.79 165.62 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -69.09 -44.21 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' ASP . 64.6 m -147.24 153.81 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 79' ' ' ASP . 5.2 m -36.86 -39.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.27 -48.47 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.847 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 3.6 t70 -60.62 -42.21 96.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.6 t -63.87 -48.99 74.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 11.3 mt -58.28 -46.49 85.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.89 -53.52 51.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.785 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.2 m95 -60.77 -57.16 13.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -43.75 -47.4 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.0 m-85 -63.2 -49.09 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 m -58.27 -36.43 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.44 -43.01 61.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.922 ' OE1' HD12 ' A' ' 61' ' ' ILE . 15.0 mm100 -63.44 -22.17 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -86.11 -41.48 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.4 p -58.94 -13.44 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 13.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -52.26 -61.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 52.7 tttp -135.16 148.46 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.0 p -144.4 133.89 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.25 162.98 36.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.75 ' O ' HD23 ' A' ' 14' ' ' LEU . 50.2 m95 -78.42 130.49 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.89 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.6 mt -150.21 149.43 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.479 HD23 ' HD3' ' A' ' 26' ' ' LYS . 5.8 mt -89.27 154.92 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttp85 -141.72 129.63 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -91.55 106.76 18.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 177.6 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -98.83 -14.67 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.564 HD12 ' N ' ' A' ' 20' ' ' ILE . 4.0 mp -98.67 -37.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 21' ' ' LEU . 5.7 mp -86.46 -14.58 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt 38.62 48.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -165.24 165.3 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CZ3' ' O ' ' A' ' 93' ' ' SER . 94.6 m95 -81.37 119.67 23.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -121.46 134.93 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HD3' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -69.2 135.54 50.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -144.89 171.6 14.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CD1' ' OD2' ' A' ' 30' ' ' ASP . 69.5 t-105 -110.05 120.89 43.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.691 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 34.8 m-85 -106.46 150.01 26.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 57.2 m-20 -152.63 115.31 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -86.59 144.25 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -97.82 166.81 11.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -70.1 -28.18 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.09 2.18 44.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 -21.83 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -56.44 134.22 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -117.19 129.72 56.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.08 127.81 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -115.41 151.39 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CE2' HG12 ' A' ' 48' ' ' ILE . 41.9 m-85 -112.98 173.91 6.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 25.4 t70 -66.15 -38.68 88.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 57.1 m-20 -165.08 -178.74 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -41.42 -28.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.5 p -42.87 -35.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 9.8 mtm180 48.18 27.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -116.39 -32.49 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -99.77 77.14 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.499 HG12 ' CE2' ' A' ' 40' ' ' TYR . 66.2 mt -49.21 124.83 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.07 -60.48 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -155.39 178.83 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -144.74 133.8 22.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 t -152.73 140.56 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.468 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.93 166.77 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.816 ' HE1' HD11 ' A' ' 61' ' ' ILE . 27.1 mmm -102.67 -69.85 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.3 Cg_endo -69.81 3.7 2.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.468 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -121.52 -52.87 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.0 m-20 -86.48 -54.86 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.482 ' SG ' HG23 ' A' ' 84' ' ' ILE . 17.6 t -67.55 112.16 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.0 pt -90.62 -31.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -145.59 157.31 43.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.816 HD11 ' HE1' ' A' ' 54' ' ' MET . 59.2 mt -127.76 116.07 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -111.81 140.64 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.745 HG22 HD12 ' A' ' 82' ' ' LEU . 18.1 p -129.91 145.25 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.48 -129.42 49.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -57.16 -42.87 81.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.52 63.21 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.49 21.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.25 111.02 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.44 2.8 22.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -138.93 136.07 18.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.67 -19.78 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -28.88 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -88.1 21.38 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 mt -94.22 137.38 33.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.745 HD12 HG22 ' A' ' 63' ' ' THR . 4.3 tp -136.99 121.83 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -120.95 144.08 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.482 HG23 ' SG ' ' A' ' 58' ' ' CYS . 5.3 mm -119.26 101.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.8 t -73.12 111.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 88' ' ' ASP . 1.8 m -72.83 -174.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ASP . 59.8 mtp85 -62.61 74.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' CYS . 0.4 OUTLIER 33.36 53.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.15 -37.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -137.05 173.58 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.2 m -160.09 132.58 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.8 mt -108.89 131.23 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 24' ' ' TRP . 7.9 m -105.23 99.01 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.691 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.5 mt -101.56 154.93 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -138.37 115.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.81 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -75.0 163.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.28 -42.79 87.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -147.28 166.79 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -52.15 -34.63 45.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -46.06 91.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.81 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.4 t0 -63.47 -52.35 61.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.5 t -49.95 -53.51 25.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 14.8 mt -53.12 -45.25 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.45 -52.95 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.89 ' NE1' HD11 ' A' ' 14' ' ' LEU . 30.9 m95 -60.0 -47.38 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 63' ' ' THR . 38.9 tttm -57.17 -47.41 81.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.0 m-85 -59.28 -42.14 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.7 m -64.95 -51.84 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.628 HD22 ' SD ' ' A' ' 54' ' ' MET . 20.1 mt -57.83 -44.61 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.476 HE21 HD12 ' A' ' 61' ' ' ILE . 12.9 mm-40 -68.68 -19.6 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.32 -25.09 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 p -84.18 -27.28 28.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.459 ' HD3' ' NE2' ' A' ' 110' ' ' GLN . 1.2 ptm85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.7 -61.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 35.5 tttp -141.32 143.14 33.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -132.08 134.53 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.803 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.426 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.68 169.86 40.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.786 ' O ' HD23 ' A' ' 14' ' ' LEU . 52.9 m95 -87.78 131.32 34.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.2 mt -146.21 141.45 27.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 26' ' ' LYS . 6.8 mt -82.56 153.55 25.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' NH1' ' OD1' ' A' ' 27' ' ' ASN . 10.5 ttp-105 -141.35 125.21 17.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -83.04 100.2 10.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -67.28 164.68 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 p -85.31 -42.53 14.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.42 -47.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 mt -77.28 -29.26 53.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 52.15 41.41 30.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -147.43 155.29 41.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -76.72 108.13 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -111.27 138.9 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 23.9 tttt -67.51 134.07 50.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' NH1' ' A' ' 16' ' ' ARG . 33.8 m120 -141.92 160.96 39.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.426 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 55.0 t-105 -106.38 113.3 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CZ ' ' CD2' ' A' ' 94' ' ' LEU . 74.5 m-85 -100.93 160.33 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 7.7 m-20 -162.84 116.01 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -86.95 143.74 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.626 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.1 m0 -97.12 163.96 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.0 p -66.15 -32.08 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.07 -15.38 59.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.44 -35.37 4.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 53' ' ' HIS . 17.1 m80 -46.84 136.87 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.4 tp -116.81 130.07 56.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.626 HD12 ' CE2' ' A' ' 32' ' ' TRP . 28.2 mt -133.91 147.11 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -136.29 156.81 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 80.5 m-85 -119.82 163.78 16.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.81 -30.53 69.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -155.01 -179.4 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -63.17 -23.26 67.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p -64.08 -20.86 66.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 85.7 mtt180 47.43 34.12 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.96 -23.08 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -129.83 105.91 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.401 HG12 ' CE2' ' A' ' 40' ' ' TYR . 94.8 mt -66.23 105.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.25 -58.24 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.521 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 16.9 t70 -170.72 168.82 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -135.59 132.83 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.61 150.6 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -94.43 167.43 11.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.653 ' HE1' HD11 ' A' ' 61' ' ' ILE . 25.4 mmm -103.61 -70.19 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.556 0.694 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.3 Cg_endo -69.71 2.51 3.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.479 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 8.9 t -121.05 -49.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 5.3 m-20 -89.71 -55.54 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.726 ' SG ' HG23 ' A' ' 84' ' ' ILE . 36.6 t -66.65 117.47 8.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.424 HG12 ' C ' ' A' ' 86' ' ' CYS . 12.4 pt -101.93 -27.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -138.73 159.25 42.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 ' HE1' ' A' ' 54' ' ' MET . 95.9 mt -133.89 115.19 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.428 ' NE ' ' OE1' ' A' ' 83' ' ' GLN . 17.5 mtm180 -103.22 118.64 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.796 ' CG2' HD12 ' A' ' 82' ' ' LEU . 11.9 p -145.02 131.29 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.87 95.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 47.39 26.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.409 ' HB2' ' N ' ' A' ' 63' ' ' THR . 18.2 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.602 0.715 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 145.95 59.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.372 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -178.71 2.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.45 126.18 31.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 10.46 61.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -135.46 132.07 19.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -102.12 -9.69 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -25.39 40.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.8 p -84.83 11.43 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.47 130.68 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.796 HD12 ' CG2' ' A' ' 63' ' ' THR . 6.1 tp -128.77 118.15 22.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.536 ' O ' HD13 ' A' ' 84' ' ' ILE . 16.2 tt0 -120.95 153.94 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.726 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.5 mm -137.33 108.93 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.9 t -93.83 131.89 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.424 ' C ' HG12 ' A' ' 59' ' ' ILE . 1.3 p -89.9 -177.47 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -59.03 -70.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -43.97 -67.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 178.82 -26.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' GLY . 15.1 tttp -33.8 142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.414 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 37.6 m -139.46 131.86 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.2 mt -107.51 117.08 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.36 113.59 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -120.99 158.04 28.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.2 t -143.43 132.57 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.695 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -96.61 159.43 14.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.89 -41.0 90.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' THR . 8.3 t -152.26 157.42 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' SER . 3.7 m -36.73 -46.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.35 -50.5 62.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.695 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 1.8 m-20 -57.14 -42.74 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.494 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 17.9 mt -60.81 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -43.77 -54.81 4.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.616 ' NE1' HD11 ' A' ' 14' ' ' LEU . 29.8 m95 -59.45 -51.62 69.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -49.81 -60.19 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.494 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 29.8 m-85 -48.76 -48.81 40.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -55.75 -45.9 77.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 54' ' ' MET . 29.7 mt -65.2 -59.27 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.47 ' OE1' ' CZ ' ' A' ' 113' ' ' ARG . 23.2 mm-40 -49.41 -30.88 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -79.77 -43.6 22.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -56.59 -31.52 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CZ ' ' OE1' ' A' ' 110' ' ' GLN . 71.8 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.57 -58.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -139.59 132.13 28.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.434 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 88.0 p -126.67 132.45 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.79 165.71 38.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.653 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.2 m95 -82.54 139.54 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.712 HD11 ' NE1' ' A' ' 105' ' ' TRP . 16.6 mt -154.14 149.95 27.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 5.3 mt -90.87 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -126.87 134.47 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -92.01 102.32 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -80.3 174.49 11.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -90.84 -45.82 8.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 mm -64.48 -57.74 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.19 -38.46 75.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp 59.56 41.05 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -148.51 164.37 34.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -80.13 102.65 9.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -104.58 134.76 47.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 5.5 tptp -68.19 132.62 47.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -140.97 173.69 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 56.0 t-105 -114.87 112.81 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 80.2 m-85 -98.26 150.48 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -154.08 112.26 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.12 144.11 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.583 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.6 m95 -97.87 167.07 11.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -71.18 -28.19 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -83.92 -2.42 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 -28.06 16.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -53.94 135.76 42.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.3 tp -118.24 129.77 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.583 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 43.4 mt -136.08 126.27 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -113.2 162.02 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -128.04 179.85 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 -40.12 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -155.47 -177.81 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -52.78 -32.43 43.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -46.08 -37.48 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 58.85 34.82 23.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -100.88 -28.19 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -110.89 103.06 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.42 97.64 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -48.49 -59.53 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -168.45 -178.46 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HE2' HD11 ' A' ' 38' ' ' ILE . 19.1 ttmt -142.45 136.57 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.508 HG13 ' OD2' ' A' ' 57' ' ' ASP . 23.0 t -152.71 138.41 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.475 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -84.25 167.2 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.638 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.4 mmm -102.34 -70.33 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.78 2.45 3.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 8.0 t -121.91 -47.89 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' OD2' HG13 ' A' ' 52' ' ' VAL . 2.3 t70 -88.45 -50.22 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.519 ' SG ' HG23 ' A' ' 84' ' ' ILE . 48.1 t -76.76 117.38 18.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 pt -93.52 -25.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -151.76 165.49 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.46 HD11 ' HE1' ' A' ' 54' ' ' MET . 32.0 mt -133.61 130.84 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.425 ' HD2' ' CG2' ' A' ' 85' ' ' VAL . 11.4 mtp180 -122.71 150.88 42.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.919 HG22 HD12 ' A' ' 82' ' ' LEU . 21.6 p -145.01 147.57 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.16 -124.66 17.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -80.0 -25.05 40.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HD3' ' NH1' ' A' ' 78' ' ' ARG . 54.1 Cg_endo -69.78 155.32 66.15 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.631 2.221 . . . . 0.0 112.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -40.05 128.08 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.1 -30.72 9.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -98.06 143.74 26.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -166.14 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HD3' HD12 ' A' ' 81' ' ' LEU . 13.6 tpp180 -99.68 -42.81 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.62 -12.84 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.17 9.97 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.481 HD12 ' HD3' ' A' ' 78' ' ' ARG . 13.1 mt -92.55 142.93 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.919 HD12 HG22 ' A' ' 63' ' ' THR . 5.3 tp -137.59 134.66 35.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -133.59 135.81 44.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.519 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.1 mm -112.4 107.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.425 ' CG2' ' HD2' ' A' ' 62' ' ' ARG . 61.6 t -75.46 114.63 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.64 153.72 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -58.18 179.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.05 34.58 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 53.07 34.38 46.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -108.86 145.59 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.44 ' N ' ' HD2' ' A' ' 90' ' ' LYS . 89.1 m -141.41 154.41 45.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 91' ' ' THR . 60.7 mt -124.92 117.67 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -83.94 123.26 29.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 42.7 mt -131.55 156.06 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 47.1 t -141.39 132.02 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.22 153.54 17.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -52.3 -53.98 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.0 p -140.13 162.93 34.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -43.71 -46.03 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -54.32 -46.1 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.28 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.02 -49.36 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.15 -45.26 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -57.0 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.712 ' NE1' HD11 ' A' ' 14' ' ' LEU . 24.5 m95 -55.0 -46.68 75.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HD2' HG21 ' A' ' 63' ' ' THR . 47.2 tttt -56.81 -51.36 69.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -55.53 -43.8 76.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.9 m -66.68 -44.3 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.42 HD11 HD21 ' A' ' 82' ' ' LEU . 19.9 mt -61.3 -49.13 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -48.51 -49.48 35.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 113' ' ' ARG . 4.0 t70 -61.25 -57.69 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.6 m -35.28 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 111' ' ' ASP . 75.0 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -49.14 -61.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -141.12 139.43 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . 84.8 p -133.84 129.82 37.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.96 175.87 35.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.861 ' O ' HD23 ' A' ' 14' ' ' LEU . 32.9 m95 -91.94 127.95 37.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.2 mt -144.78 152.19 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.77 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -137.92 116.8 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -84.39 113.7 21.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -96.52 156.9 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -82.22 -20.82 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.57 -44.52 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -85.81 -16.97 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 40.01 52.14 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -164.33 159.63 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 96.6 m95 -85.1 111.49 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -113.91 132.65 55.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -59.39 133.33 56.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -139.93 155.63 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.415 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 70.1 t-105 -105.17 112.47 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.659 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 87.5 m-85 -101.52 156.03 17.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.5 m-20 -157.74 115.61 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 37' ' ' LEU . 9.2 tp -86.27 141.24 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.4 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 12.9 m95 -95.99 168.45 10.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -73.37 -24.44 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.38 -2.78 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.05 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 7.8 m80 -48.67 134.74 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HB2' HD12 ' A' ' 31' ' ' LEU . 21.1 tp -118.4 129.7 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.4 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 60.6 mt -131.99 134.44 59.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.587 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -123.84 150.67 44.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -114.7 170.6 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.2 -37.18 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -147.15 172.01 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -18.11 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -67.95 -20.17 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 52.55 30.7 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -90.21 -35.09 15.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -108.69 96.58 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.59 102.11 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.84 -60.66 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 21.3 t70 -171.8 176.7 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -141.07 133.05 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.3 t -150.33 140.72 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.469 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -84.16 167.23 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.1 mmm -102.85 -70.16 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.71 2.69 3.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.1 t -121.85 -48.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 m-20 -91.9 -49.96 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.619 ' SG ' HG23 ' A' ' 84' ' ' ILE . 53.7 t -73.02 117.52 14.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.0 pt -99.13 -29.71 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -138.7 165.73 26.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.4 mt -136.35 109.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HE ' HG21 ' A' ' 85' ' ' VAL . 58.1 mtt180 -102.2 143.94 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.773 HG22 HD12 ' A' ' 82' ' ' LEU . 7.7 p -140.76 131.35 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -125.37 12.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.589 ' CE1' ' NE ' ' A' ' 78' ' ' ARG . 33.3 m-70 -60.23 -48.84 80.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 156.31 63.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -166.1 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.59 138.94 31.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.89 33.96 87.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -147.46 134.87 10.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 65' ' ' HIS . 15.5 ttp180 -104.26 -28.0 11.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.0 -16.32 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.04 10.52 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.7 mt -86.47 141.7 28.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.773 HD12 HG22 ' A' ' 63' ' ' THR . 5.5 tp -139.19 117.81 12.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.457 ' OE1' HG21 ' A' ' 91' ' ' THR . 16.0 tt0 -118.03 147.19 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.619 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.1 mm -126.78 119.12 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.445 HG21 ' HE ' ' A' ' 62' ' ' ARG . 10.3 t -98.34 133.5 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.8 -179.53 5.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -57.09 -73.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -45.19 -70.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.38 -28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' GLY . 32.4 tttt -33.78 128.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.457 HG21 ' OE1' ' A' ' 83' ' ' GLN . 89.9 m -124.97 130.53 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.7 mt -104.57 125.86 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 m -97.99 113.29 25.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.659 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -118.71 157.4 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.525 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 36.7 t -139.23 133.21 31.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.821 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -93.74 161.8 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.22 -38.17 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' ASP . 49.4 m -156.21 154.59 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.0 m -38.68 -45.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -54.27 -44.04 71.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.821 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.1 t70 -63.97 -53.76 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 53.1 t -51.18 -54.35 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.8 mt -48.5 -43.1 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -52.54 64.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.823 ' NE1' HD11 ' A' ' 14' ' ' LEU . 29.8 m95 -59.19 -46.88 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HD2' HG21 ' A' ' 63' ' ' THR . 25.6 tttm -55.53 -61.85 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 26.4 m-85 -45.97 -40.35 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -64.65 -49.76 69.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 82' ' ' LEU . 11.1 mt -61.98 -44.06 97.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.68 -22.15 56.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -94.99 -38.36 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.8 p -63.47 -19.51 64.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 113' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.936 0.398 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -53.4 -60.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -139.79 144.87 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 13.0 p -138.2 131.23 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -162.33 166.8 36.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 79.1 m95 -83.66 126.33 32.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.699 HD11 ' NE1' ' A' ' 105' ' ' TRP . 19.0 mt -139.07 144.83 38.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 26' ' ' LYS . 6.5 mt -93.67 122.28 35.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 19.6 ttp-105 -110.77 125.67 53.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -69.99 112.7 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -88.54 132.97 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.415 ' CG2' HD12 ' A' ' 20' ' ' ILE . 10.3 t -72.75 -19.95 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 19' ' ' THR . 4.3 mp -86.66 -41.24 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt -93.88 -7.08 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp 39.18 53.16 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -170.4 148.28 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 83.3 m95 -66.86 121.9 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -122.43 131.19 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.661 ' HA ' HD23 ' A' ' 15' ' ' LEU . 10.1 ttpt -58.88 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' CB ' HH12 ' A' ' 16' ' ' ARG . 30.8 m120 -141.84 171.59 13.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.424 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 45.1 t-105 -116.66 114.12 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 41.2 m-85 -99.38 148.77 23.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -151.01 115.3 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -89.01 145.45 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -99.43 168.23 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -70.26 -32.78 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.67 1.94 31.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 -31.59 8.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -46.98 134.49 10.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.531 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 23.7 mt -136.82 127.34 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 1.5 p90 -116.37 147.94 41.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.507 ' CG ' ' HA ' ' A' ' 45' ' ' ARG . 72.2 m-85 -110.56 174.85 5.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.486 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 12.1 t70 -73.27 -31.77 64.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-20 -163.0 -174.98 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -55.84 -13.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -57.39 -23.64 50.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.507 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 50.2 mtt180 39.19 36.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -122.11 -32.1 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -95.97 79.2 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -49.71 101.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 18.1 mm-40 -62.33 -49.03 77.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 5.2 t70 -172.86 176.28 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . 12.4 ttpp -144.95 140.28 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' LYS . 18.5 t -158.56 135.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.467 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -80.64 166.83 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.819 ' HE1' HD11 ' A' ' 61' ' ' ILE . 28.0 mmm -101.68 -70.26 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.74 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 4.1 t -122.3 -48.5 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CB ' HG13 ' A' ' 52' ' ' VAL . 3.4 t0 -87.52 -50.15 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.9 149.61 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 pt -125.72 -33.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -142.12 147.47 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.819 HD11 ' HE1' ' A' ' 54' ' ' MET . 62.0 mt -118.56 126.95 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.535 ' NH1' HG22 ' A' ' 85' ' ' VAL . 7.8 mtt85 -115.32 153.19 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.563 HG22 HD12 ' A' ' 82' ' ' LEU . 17.6 p -145.38 133.73 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.51 -134.58 26.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -55.87 -41.41 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.637 0.732 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 148.89 65.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.7 153.22 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.78 23.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -141.24 129.0 12.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -173.01 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.353 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -109.79 19.67 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -113.25 -15.01 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.89 7.64 45.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.59 145.9 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 63' ' ' THR . 5.6 tp -139.42 125.65 20.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.436 ' OE1' HG21 ' A' ' 91' ' ' THR . 10.8 tt0 -123.49 151.37 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 mm -125.84 108.51 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.535 HG22 ' NH1' ' A' ' 62' ' ' ARG . 58.1 t -78.68 112.93 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.5 164.68 21.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -53.72 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.05 31.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -91.31 102.71 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.436 HG21 ' OE1' ' A' ' 83' ' ' GLN . 25.4 m -94.14 119.24 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.5 mt -105.69 116.85 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.1 m -85.71 120.98 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.615 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 40.9 mt -123.73 157.89 32.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.524 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 4.9 t -137.26 138.98 40.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -106.62 145.62 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -38.35 -53.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -142.49 179.48 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -55.17 -50.84 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.93 -46.83 61.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.543 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -55.86 -53.29 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 47.4 t -53.74 -58.24 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.1 mt -47.61 -43.96 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.81 -49.81 75.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.699 ' NE1' HD11 ' A' ' 14' ' ' LEU . 18.3 m95 -60.56 -52.45 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.41 ' HD2' HG21 ' A' ' 63' ' ' THR . 27.0 tttp -51.1 -57.81 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -52.02 -45.6 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.7 m -57.56 -55.48 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.458 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 20.4 mt -54.62 -49.54 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.611 HE21 HD12 ' A' ' 61' ' ' ILE . 27.4 mm-40 -50.92 -32.29 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -81.37 -49.47 10.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.0 p -49.46 -28.68 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 113' ' ' ARG . 15.3 mtp-105 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.1 t -47.66 -60.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -141.02 146.78 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.1 p -139.11 132.0 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.806 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.42 171.14 39.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.591 ' O ' HD23 ' A' ' 14' ' ' LEU . 60.0 m95 -87.28 127.35 35.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 ' NE1' ' A' ' 105' ' ' TRP . 23.1 mt -143.91 148.02 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 26' ' ' LYS . 5.0 mt -91.03 146.39 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -134.66 136.03 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -87.42 111.43 21.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.3 t -86.1 153.77 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -76.96 -32.76 57.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -78.88 -58.92 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.24 -26.37 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mttp 49.89 49.89 19.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -164.39 154.74 14.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -73.92 116.42 14.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -123.12 125.05 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.9 134.3 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.79 155.68 44.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -104.82 111.85 24.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.548 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 77.3 m-85 -99.18 152.03 20.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -153.95 112.19 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -84.84 140.17 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.47 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.7 m95 -94.15 169.66 10.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -71.91 -29.79 64.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -5.36 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.23 -30.47 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -52.1 136.39 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.1 tp -117.85 130.49 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.47 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 47.8 mt -135.53 129.82 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.7 152.81 33.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.98 176.14 5.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -77.36 -41.1 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 p30 -144.9 -177.21 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -65.97 -14.92 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -71.55 -15.99 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 46.06 41.48 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -102.31 -19.18 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -125.52 98.54 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -67.6 103.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -51.69 -56.79 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 14.6 t70 -173.17 174.71 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.61 135.49 40.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.43 143.36 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.48 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.29 167.53 14.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.64 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.5 mmm -106.39 -70.21 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.552 0.691 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.83 3.46 2.79 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 41.6 t -120.57 -49.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.7 m-20 -90.94 -47.02 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.636 ' SG ' HG23 ' A' ' 84' ' ' ILE . 34.4 t -78.55 119.9 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.6 pt -100.85 -31.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -143.45 171.41 14.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -137.19 106.27 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 mtt85 -93.05 119.61 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.757 ' CG2' HD12 ' A' ' 82' ' ' LEU . 40.2 p -136.52 138.67 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 -115.21 4.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.57 35.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.86 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 145.59 57.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.484 ' CG ' ' SG ' ' A' ' 95' ' ' CYS . 53.4 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -45.58 119.4 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.92 38.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -133.3 143.61 48.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.58 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -104.57 5.37 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -97.94 -9.92 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -99.23 2.82 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 81' ' ' LEU . 20.6 mt -73.19 130.94 41.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.757 HD12 ' CG2' ' A' ' 63' ' ' THR . 5.3 tp -131.02 117.98 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.587 ' OE1' HG21 ' A' ' 91' ' ' THR . 8.9 tt0 -118.89 131.38 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.636 HG23 ' SG ' ' A' ' 58' ' ' CYS . 24.5 mm -103.18 90.55 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.74 109.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ARG . 12.1 m -92.03 170.56 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' ASP . 29.6 mtm180 -35.88 136.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' ARG . 2.4 t0 -34.39 100.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.4 22.25 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -174.4 143.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.587 HG21 ' OE1' ' A' ' 83' ' ' GLN . 56.1 m -157.98 132.77 8.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.9 mt -104.38 138.72 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.13 120.44 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.526 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 33.9 mt -125.5 155.15 41.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.484 ' SG ' ' CG ' ' A' ' 73' ' ' PRO . 50.0 t -140.09 113.42 8.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 102' ' ' CYS . . . -78.16 153.4 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -54.38 -59.21 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -129.81 155.56 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.3 m -39.97 -49.87 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -52.79 -46.23 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.35 -44.15 88.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 42.6 t -62.65 -55.16 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 12.0 mt -51.13 -38.92 54.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.63 -50.97 71.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.738 ' NE1' HD11 ' A' ' 14' ' ' LEU . 40.4 m95 -64.19 -54.24 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -42.81 -51.33 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.4 m-85 -53.13 -54.41 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 59.4 m -54.84 -51.31 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.519 HD11 HD21 ' A' ' 82' ' ' LEU . 18.5 mt -54.87 -44.17 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -59.98 -41.82 92.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -79.85 -19.84 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.3 p -78.76 -31.68 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -71.55 161.6 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -47.74 -55.84 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.52 -44.92 1.34 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -128.9 141.27 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -121.41 136.46 54.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.17 134.86 12.01 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -90.87 138.38 31.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.7 t -52.26 -56.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -145.8 121.08 10.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 62.5 p -115.78 131.66 56.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.78 179.8 39.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.847 ' O ' HD23 ' A' ' 14' ' ' LEU . 68.7 m95 -97.1 137.2 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 13' ' ' TRP . 37.3 mt -150.2 146.89 27.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD12 ' HB3' ' A' ' 95' ' ' CYS . 6.2 mt -80.96 154.69 26.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -144.54 124.18 13.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.51 103.71 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 t -76.42 160.92 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.6 m -85.1 -20.79 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.94 -36.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.7 mt -89.78 -12.28 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.2 mttt 36.11 42.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -156.14 167.03 31.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -83.4 124.15 30.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -126.2 128.33 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 121.7 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -126.46 176.8 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 69.8 t-105 -118.35 110.38 17.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 36.9 m-85 -98.93 156.55 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.446 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 5.7 m-20 -159.07 112.57 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 tp -87.18 138.31 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.427 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.0 m0 -91.37 172.01 8.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 t -73.08 -28.28 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -85.07 5.46 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.75 -36.91 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -43.65 137.52 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.7 tp -120.74 130.78 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.427 HD12 ' CE2' ' A' ' 32' ' ' TRP . 47.1 mt -136.67 132.98 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -119.11 149.76 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 50.9 m-85 -113.77 -179.42 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.53 -35.67 34.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.49 179.78 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -55.71 -21.3 17.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.9 p -61.03 -30.93 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.494 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 19.6 mtm180 57.32 38.83 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -103.81 -39.49 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -97.39 82.07 3.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.67 95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -45.99 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -166.5 177.36 6.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -139.47 132.52 29.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 57' ' ' ASP . 21.6 t -147.26 148.59 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.9 166.49 12.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.721 ' SD ' HD22 ' A' ' 109' ' ' LEU . 25.9 mmm -101.45 -69.9 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.545 0.688 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.79 3.27 2.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -122.19 -50.38 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.467 ' CB ' HG13 ' A' ' 52' ' ' VAL . 2.8 t70 -85.59 -45.88 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.653 ' SG ' HG23 ' A' ' 84' ' ' ILE . 18.7 t -86.24 132.72 33.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 87' ' ' ARG . 28.5 pt -110.39 -34.19 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -134.87 155.33 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.583 HD11 ' HE1' ' A' ' 54' ' ' MET . 35.4 mt -129.82 114.3 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -110.54 147.45 34.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.75 HG22 HD12 ' A' ' 82' ' ' LEU . 47.5 p -140.69 131.35 25.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.32 -140.74 21.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 71.7 m80 -59.86 -26.05 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.753 0.311 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -58.79 -40.39 83.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.8 m -56.09 176.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.533 ' HB3' HG23 ' A' ' 70' ' ' ILE . 11.0 ttt180 -51.17 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -80.64 39.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 68' ' ' ARG . 1.5 pt -83.63 -174.61 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 70' ' ' ILE . 10.1 pt20 -145.31 141.67 17.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.657 0.742 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.29 57.48 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -174.85 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.352 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.4 147.11 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.37 40.97 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -149.91 137.56 11.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -164.6 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.579 ' HD3' ' CD2' ' A' ' 65' ' ' HIS . 13.6 ttt180 -112.82 -31.02 6.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.55 -22.03 66.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.47 6.74 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.88 143.61 28.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.75 HD12 HG22 ' A' ' 63' ' ' THR . 5.4 tp -139.84 118.44 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.472 ' O ' HD13 ' A' ' 84' ' ' ILE . 13.4 tt0 -115.49 156.09 26.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.653 HG23 ' SG ' ' A' ' 58' ' ' CYS . 18.6 mm -131.03 108.07 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.8 t -81.5 111.1 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.21 171.84 14.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 59' ' ' ILE . 62.2 mtp180 -61.77 -73.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -44.6 -57.67 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.6 -26.49 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -38.17 132.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.4 m -128.69 123.22 32.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.2 mt -105.09 124.39 59.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 m -97.94 117.8 33.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -119.45 162.66 18.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.551 ' HB3' HD12 ' A' ' 15' ' ' LEU . 49.0 t -146.59 130.9 17.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.857 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -94.86 160.02 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -55.57 -43.45 75.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.0 t -152.86 159.58 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.2 m -40.05 -42.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.87 -55.89 19.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.857 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.2 t70 -57.15 -45.49 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 54.0 t -57.78 -55.03 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -49.94 -49.28 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.54 -53.69 42.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.739 ' CE2' HD11 ' A' ' 14' ' ' LEU . 36.2 m95 -58.25 -58.61 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.438 ' HD2' HG21 ' A' ' 63' ' ' THR . 42.4 tttt -43.71 -56.97 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -56.61 -43.45 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.2 m -56.86 -41.64 78.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.721 HD22 ' SD ' ' A' ' 54' ' ' MET . 11.3 mt -68.65 -52.68 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.523 ' NE2' ' CZ ' ' A' ' 113' ' ' ARG . 32.7 mm-40 -52.07 -19.82 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.87 -45.3 10.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.9 p -62.62 -11.68 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.523 ' CZ ' ' NE2' ' A' ' 110' ' ' GLN . 51.2 mtm180 -67.7 -22.82 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.83 42.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.8 t -120.47 120.68 36.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 174.78 -80.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 118' ' ' SER . 54.2 Cg_endo -69.77 133.16 24.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.368 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 117' ' ' PRO . 22.8 t -37.38 140.41 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.6 t -109.25 -62.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.796 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -40.73 108.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -151.0 158.43 44.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.52 -151.36 49.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -111.28 -54.27 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -130.15 122.61 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' PHE . . . -91.18 92.9 1.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.6 m-85 -37.24 131.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -49.28 -59.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -144.6 142.45 30.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -138.02 136.31 36.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.58 165.28 37.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -77.92 125.46 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.774 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.3 mt -141.99 148.58 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -88.54 151.78 22.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NH1' ' CZ ' ' A' ' 39' ' ' TYR . 47.4 ttt180 -142.24 116.53 9.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.68 106.82 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 p -68.27 164.74 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -96.57 -18.58 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 21' ' ' LEU . 91.5 mt -94.6 -54.43 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.444 HD12 HG22 ' A' ' 20' ' ' ILE . 11.1 mp -78.1 -13.38 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm 46.42 39.35 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -142.81 160.29 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -77.46 115.14 16.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.62 132.09 56.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 124.24 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -133.25 154.81 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 53.5 t-105 -92.49 128.81 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 61.0 m-85 -116.44 148.27 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 3.6 m-20 -155.8 112.78 3.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 37' ' ' LEU . 8.3 tp -88.27 142.85 27.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.1 m0 -96.15 174.75 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.1 t -77.25 -30.11 54.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.78 -7.22 57.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.21 -28.78 11.14 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -54.85 135.85 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' HB2' HD12 ' A' ' 31' ' ' LEU . 20.4 tp -117.09 130.75 56.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 32' ' ' TRP . 47.3 mt -131.46 135.65 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.581 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -125.27 148.87 48.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 m-85 -118.03 164.71 14.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -66.36 -39.77 89.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 1.2 p30 -144.22 -178.17 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -64.5 -28.87 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.2 p -58.43 -13.76 6.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 16.8 mtt85 42.75 41.15 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.34 -12.95 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -129.26 90.02 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.37 97.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -48.92 -68.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' O ' ' CE1' ' A' ' 39' ' ' TYR . 5.9 m-20 -164.08 159.91 21.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.11 137.05 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.2 t -150.46 139.36 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.476 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -82.95 167.51 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -103.8 -70.39 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.78 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.476 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 13.2 t -122.52 -49.12 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.1 m-20 -90.49 -43.15 10.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.56 ' SG ' HG23 ' A' ' 84' ' ' ILE . 36.9 t -85.01 136.1 33.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -114.57 -30.04 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -140.25 170.69 15.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 54' ' ' MET . 80.3 mt -140.54 108.28 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -97.01 131.45 43.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.55 ' CG2' HD12 ' A' ' 82' ' ' LEU . 59.9 p -145.08 149.06 34.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.86 -124.86 7.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -88.36 15.56 7.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -87.64 -38.7 15.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.3 m -47.16 165.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -156.96 141.64 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 t70 71.72 28.53 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.435 HD13 ' NE2' ' A' ' 83' ' ' GLN . 5.0 pt -142.53 -177.79 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.15 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -155.17 138.54 10.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.405 ' HB3' HD11 ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.79 147.5 62.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.38 21.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -43.7 129.77 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 87.97 20.79 48.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 18.2 mmtp -146.58 139.58 14.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.849 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -164.37 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -102.91 -41.72 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -53.27 -17.71 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 12.0 p -91.5 15.36 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 72' ' ' PRO . 51.7 mt -99.3 131.59 45.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 109' ' ' LEU . 6.0 tp -127.02 130.49 50.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.435 ' NE2' HD13 ' A' ' 70' ' ' ILE . 15.7 tt0 -131.6 150.58 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.56 HG23 ' SG ' ' A' ' 58' ' ' CYS . 7.8 mm -125.52 117.1 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -86.53 120.98 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 49.4 m -89.18 175.42 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -72.39 -67.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.91 -60.47 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 33.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -101.9 102.83 13.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -92.31 126.62 37.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 72.5 mt -106.66 119.51 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -95.78 123.77 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.437 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.6 mt -128.38 162.67 26.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 53.1 t -144.59 131.4 20.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -94.61 171.12 8.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.54 -35.21 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -158.89 161.55 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 47.5 m -42.78 -43.45 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -56.23 -44.79 79.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.546 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.2 m-20 -64.77 -51.56 61.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.1 t -55.75 -49.19 73.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.588 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 26.3 mt -58.01 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.34 -45.87 17.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.774 ' NE1' HD11 ' A' ' 14' ' ' LEU . 37.4 m95 -69.8 -41.81 74.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -58.59 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 15.1 m-85 -56.44 -45.64 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.7 m -65.66 -46.66 78.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.593 ' CD1' HD21 ' A' ' 82' ' ' LEU . 24.0 mt -62.58 -37.03 84.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -66.84 -27.65 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -94.14 -13.98 26.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.3 p -84.96 -24.22 28.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -80.25 -28.73 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.51 -62.2 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 m -87.32 87.86 7.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -125.96 -88.61 0.71 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.14 17.06 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.4 p -164.09 176.92 8.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.8 p -101.5 157.69 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.512 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -56.37 -54.87 40.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.826 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 38.3 m -119.62 90.76 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.39 65.69 0.34 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -129.29 120.15 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.37 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -53.24 -40.39 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.91 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.94 108.37 2.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -93.81 127.63 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.7 t -48.85 -60.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 41.9 tttp -148.61 128.85 13.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.487 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 62.4 p -118.23 133.1 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.94 177.91 40.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.494 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.688 ' O ' HD23 ' A' ' 14' ' ' LEU . 77.0 m95 -97.79 144.02 27.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' NE1' ' A' ' 105' ' ' TRP . 58.8 mt -155.6 147.51 23.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.56 122.13 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -111.46 126.49 55.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -75.25 129.53 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -91.83 159.37 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 p -100.74 5.69 43.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.0 -27.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.69 -5.69 15.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp 41.43 45.74 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -150.02 162.22 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -83.66 129.13 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 136.37 52.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.558 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 14.6 tttm -68.99 132.73 47.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -139.4 165.96 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.484 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 51.4 t-105 -111.23 110.01 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 39' ' ' TYR . 74.0 m-85 -98.65 156.18 16.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.487 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 32.4 m-20 -158.77 112.87 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' VAL . 10.7 tp -88.35 139.67 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.403 ' NE1' HD12 ' A' ' 38' ' ' ILE . 10.0 m0 -92.45 155.02 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -54.95 -31.63 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -73.4 -24.25 60.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.24 -26.03 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -52.48 140.71 21.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.361 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.1 tp -118.16 130.02 55.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.503 HD11 ' HE2' ' A' ' 51' ' ' LYS . 57.1 mt -138.28 129.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -116.21 156.35 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 41.5 m-85 -123.57 172.5 8.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -75.23 -34.0 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.7 p30 -153.68 178.43 9.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -56.66 -34.02 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.0 p -56.89 -20.18 21.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.511 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 55.0 mtm180 45.59 40.17 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -100.3 -15.72 17.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -125.23 78.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.5 mt -48.19 120.91 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 50' ' ' ASP . 11.1 mm-40 -72.02 -56.12 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.543 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -174.06 160.35 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HE2' HD11 ' A' ' 38' ' ' ILE . 18.6 ttmt -123.35 138.07 54.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG13 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -153.34 150.02 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.459 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -93.18 165.7 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.4 mmm -100.95 -69.81 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.84 3.86 2.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -123.19 -49.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.469 ' CB ' HG13 ' A' ' 52' ' ' VAL . 2.6 t0 -87.34 -49.99 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.699 ' SG ' HG23 ' A' ' 84' ' ' ILE . 47.0 t -75.39 117.83 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 87' ' ' ARG . 20.0 pt -99.84 -30.21 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -143.32 168.92 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.3 mt -141.65 126.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -110.5 142.33 42.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.785 HG21 ' HD2' ' A' ' 106' ' ' LYS . 19.6 p -146.19 133.64 20.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.91 -131.66 10.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.468 ' CD2' ' HG2' ' A' ' 78' ' ' ARG . 73.7 m-70 -85.45 29.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -99.33 -33.18 10.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.8 m -55.42 171.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 70' ' ' ILE . 12.8 tpt180 -152.98 150.45 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 4.7 m-20 63.95 25.04 13.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 68' ' ' ARG . 3.2 pt -143.7 172.95 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.408 ' HG2' ' C ' ' A' ' 70' ' ' ILE . 61.9 mm-40 -152.22 141.34 14.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.91 65.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.313 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.04 32.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.07 124.6 25.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.13 18.12 34.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -144.36 139.61 15.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -166.38 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.737 2.291 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HD2' HD12 ' A' ' 81' ' ' LEU . 8.0 tpt180 -96.38 -43.41 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.2 -19.2 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.87 14.7 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD12 ' HD2' ' A' ' 78' ' ' ARG . 48.5 mt -102.24 137.45 40.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 HD11 ' A' ' 109' ' ' LEU . 7.0 tp -134.49 119.91 19.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.487 ' NE2' HD13 ' A' ' 70' ' ' ILE . 12.3 tt0 -115.57 139.88 49.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.699 HG23 ' SG ' ' A' ' 58' ' ' CYS . 39.8 mm -117.54 96.03 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.42 103.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 14.6 m -65.01 -176.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 59' ' ' ILE . 3.7 ttt180 -101.62 -50.74 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' GLY . 9.1 m-20 -79.14 70.57 5.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 35.71 85.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 91' ' ' THR . 37.9 tttt -174.8 160.3 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.477 ' N ' ' HG2' ' A' ' 90' ' ' LYS . 54.9 m -151.59 142.52 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -115.17 116.2 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.58 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.5 mt -112.34 159.64 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.6 t -143.86 128.9 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -90.36 157.47 17.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.73 -42.75 93.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.8 p -148.77 162.38 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.8 m -43.71 -44.1 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -49.86 71.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.468 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 4.4 m-20 -58.54 -49.92 75.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.5 t -53.75 -48.97 69.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.77 -45.88 85.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.96 -56.15 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.784 ' NE1' HD11 ' A' ' 14' ' ' LEU . 27.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.785 ' HD2' HG21 ' A' ' 63' ' ' THR . 20.1 tttp -55.05 -49.28 71.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -56.36 -41.88 76.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.4 m -66.17 -43.07 87.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.6 HD11 HD21 ' A' ' 82' ' ' LEU . 14.3 mt -65.88 -51.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -54.14 -20.88 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -88.93 -45.01 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.5 p -56.77 -35.6 68.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -70.0 -45.16 67.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.1 t -89.02 20.24 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -87.08 111.28 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 115.95 -161.02 13.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 124.86 11.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.8 p -41.79 141.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.4 t -40.54 148.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -106.64 -46.33 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -113.93 122.27 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.44 -81.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -119.79 -56.92 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -153.93 150.0 27.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.43 161.43 28.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.511 ' CE2' ' NH1' ' A' ' 45' ' ' ARG . 20.3 m-85 -85.65 129.38 34.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.955 0.407 . . . . 0.0 110.838 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -55.65 -60.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.7 tttp -142.02 144.55 33.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.6 p -136.5 131.35 33.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.584 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -160.36 -178.76 34.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 65.2 m95 -96.54 128.93 43.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.856 HD11 ' NE1' ' A' ' 105' ' ' TRP . 56.0 mt -144.09 148.83 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -90.24 147.71 23.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.2 ttp85 -133.77 130.23 37.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -75.29 127.9 34.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -92.75 173.91 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.2 p -107.98 -21.26 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.3 mt -98.43 -39.72 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.2 mp -89.18 -3.13 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 21' ' ' LEU . 46.9 mmtt 34.48 50.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -158.48 173.4 16.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -94.62 129.87 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -124.72 139.66 53.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 55.2 tttt -66.67 130.34 42.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -137.07 164.67 27.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 45.5 t-105 -108.42 114.77 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.528 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 70.1 m-85 -100.95 153.69 19.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -157.21 112.0 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.5 tp -85.33 142.98 28.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.4 m0 -96.61 174.46 6.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -75.36 -30.21 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.806 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.22 2.32 44.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.52 -36.31 4.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -43.63 134.89 4.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.7 tp -117.73 129.8 55.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.619 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 30.1 mt -136.21 128.44 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -115.59 163.92 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 22.2 m-85 -131.91 162.01 31.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.23 -46.53 90.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -133.63 -175.6 3.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -69.04 -13.43 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -70.13 -16.54 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.511 ' NH1' ' CE2' ' A' ' 8' ' ' PHE . 35.9 mtm180 41.03 36.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -94.78 -22.95 17.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -121.13 87.52 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 mt -51.37 102.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.14 -54.92 37.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 3.3 t70 -171.71 174.4 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.573 ' O ' HG23 ' A' ' 52' ' ' VAL . 24.5 ttmt -136.83 143.86 43.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 51' ' ' LYS . 19.7 t -160.07 129.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -75.22 167.05 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.643 ' SD ' HD22 ' A' ' 109' ' ' LEU . 25.7 mmm -103.49 -70.4 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.635 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.2 Cg_endo -69.79 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.616 2.211 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 39.4 t -122.69 -47.23 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' OD2' HG13 ' A' ' 52' ' ' VAL . 6.5 t0 -87.08 -46.07 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.401 ' SG ' HG23 ' A' ' 84' ' ' ILE . 9.6 t -84.58 139.73 31.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.9 -23.75 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -142.79 158.12 43.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 ' HE1' ' A' ' 54' ' ' MET . 86.7 mt -134.46 109.03 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 66' ' ' GLU . 14.4 mtp180 -97.6 146.05 25.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.597 HG21 ' HD2' ' A' ' 106' ' ' LYS . 10.7 p -146.12 137.3 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.22 -116.91 4.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.415 ' ND1' ' HD3' ' A' ' 78' ' ' ARG . 26.9 m80 -87.68 -17.69 31.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 62' ' ' ARG . 8.9 mm-40 -59.95 -21.62 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.6 m -51.09 -176.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.0 mmm-85 -88.23 62.17 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 46.93 27.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 pt -77.27 -174.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -139.35 133.55 16.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.576 0.703 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.53 ' HD3' HD11 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.79 160.54 49.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.46 21.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -39.85 116.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.96 -29.87 6.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -102.74 143.7 27.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -166.57 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HD3' ' ND1' ' A' ' 65' ' ' HIS . 7.2 ttt85 -98.77 -38.09 9.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.4 -16.86 39.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 22.7 m -88.9 3.82 50.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.53 HD11 ' HD3' ' A' ' 72' ' ' PRO . 65.2 mt -85.2 132.7 34.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 63' ' ' THR . 5.6 tp -131.89 117.78 18.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -113.81 146.36 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.401 HG23 ' SG ' ' A' ' 58' ' ' CYS . 3.3 mm -125.1 108.37 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -80.26 116.88 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.8 m -90.14 -176.2 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -84.53 -45.18 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 90' ' ' LYS . 10.5 m-20 -77.11 57.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . . . 36.51 30.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' ASP . 22.1 tptt -100.03 139.22 36.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.7 m -133.92 137.45 44.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.6 mt -119.47 117.42 53.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -88.29 115.08 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.528 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 67.2 mt -116.99 162.57 17.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.4 t -148.52 133.49 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.89 -179.84 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -97.0 -29.11 13.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 t -145.78 146.4 31.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -41.45 -45.34 3.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.81 -45.95 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -48.82 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.4 t -56.76 -53.65 55.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.438 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 8.1 mt -52.68 -50.99 62.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.65 -55.79 10.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.856 ' NE1' HD11 ' A' ' 14' ' ' LEU . 18.3 m95 -53.34 -51.81 61.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.597 ' HD2' HG21 ' A' ' 63' ' ' THR . 23.6 tttp -54.27 -51.45 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.438 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 21.2 m-85 -56.35 -45.02 80.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.8 m -59.4 -50.44 73.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.643 HD22 ' SD ' ' A' ' 54' ' ' MET . 7.4 mt -61.22 -58.37 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -44.53 -25.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -85.73 -40.37 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -13.4 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 16.7 mtm105 -69.48 -38.85 77.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.1 t -103.02 -16.61 15.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 63.3 p -115.68 116.35 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -164.83 -90.78 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.39 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.349 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t 69.96 43.77 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.2 p -48.48 -58.69 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -121.21 155.9 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -114.32 17.06 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.89 -110.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t 56.54 42.47 27.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -90.81 90.36 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.42 76.75 2.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -38.73 129.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.9 t -47.33 -53.42 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -146.99 139.28 24.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 97.7 p -134.28 142.4 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.04 31.64 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.845 ' O ' HD23 ' A' ' 14' ' ' LEU . 93.8 m95 -76.87 136.98 38.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 13' ' ' TRP . 39.7 mt -151.17 140.28 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -84.25 136.88 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -126.72 131.17 51.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -85.17 123.36 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -103.66 159.25 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -86.73 -27.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 mm -82.54 -27.42 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.4 mt -103.38 -22.53 13.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm 46.92 39.71 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -157.32 148.57 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -67.96 117.08 9.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -120.52 127.92 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.27 134.43 27.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -144.24 156.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.478 ' O ' ' CB ' ' A' ' 39' ' ' TYR . 74.4 t-105 -103.77 127.62 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 58.9 m-85 -116.44 149.8 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.423 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.5 m-20 -152.54 116.78 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 37' ' ' LEU . 6.6 tp -92.42 134.11 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -89.32 164.99 14.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -67.3 -30.35 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -80.08 -3.98 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.99 -35.71 4.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -46.76 135.24 9.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 31' ' ' LEU . 26.5 tp -118.81 130.18 55.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 mt -135.05 129.11 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -116.11 155.26 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.7 m-85 -125.03 168.34 13.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.42 -34.9 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.09 -177.95 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -25.42 67.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 p -56.26 -28.4 58.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 58.23 39.79 25.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -94.47 -40.52 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.6 m -111.26 103.68 12.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.5 mt -69.5 108.38 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.64 -63.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -168.11 177.68 5.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -137.12 136.15 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.619 HG13 ' OD2' ' A' ' 57' ' ' ASP . 23.8 t -152.01 142.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.469 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -88.59 166.88 13.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 24.3 mmm -101.13 -70.25 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -121.99 -50.11 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.619 ' OD2' HG13 ' A' ' 52' ' ' VAL . 4.3 t70 -86.33 -43.73 12.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . 1.5 t -86.11 133.92 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 pt -112.4 -30.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -143.51 147.08 33.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.415 HD12 ' OE1' ' A' ' 110' ' ' GLN . 47.5 mt -116.01 115.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -106.58 138.17 43.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.531 HG22 HD12 ' A' ' 82' ' ' LEU . 44.2 p -144.1 161.89 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.36 -101.48 0.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -103.71 -31.53 9.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -42.17 -50.38 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -40.35 161.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 67' ' ' CYS . 80.6 mtt180 -51.91 -173.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -74.96 45.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 71' ' ' GLN . 1.4 pt -83.85 -175.13 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' HG13 ' A' ' 70' ' ' ILE . 12.1 pt20 -150.2 137.98 11.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 160.13 50.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.287 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 54.2 Cg_endo -69.69 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -97.59 120.03 37.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.08 -7.06 56.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 11.0 mmmt -115.59 141.0 26.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.384 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.0 ttm-85 -96.85 -32.68 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.06 -15.24 55.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.4 m -90.23 8.08 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.456 HD13 HD11 ' A' ' 70' ' ' ILE . 13.9 mt -89.06 116.7 27.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.531 HD12 HG22 ' A' ' 63' ' ' THR . 3.8 tp -112.73 140.91 47.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.415 ' O ' HD13 ' A' ' 84' ' ' ILE . 16.1 tt0 -139.51 159.99 40.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 58' ' ' CYS . 4.1 mm -140.46 114.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.32 129.03 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.09 -178.66 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -72.69 -63.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -54.36 -63.72 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.69 33.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.518 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -100.75 105.8 17.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -95.03 131.67 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.0 mt -107.29 123.24 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 120.17 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.451 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 30.0 mt -130.31 157.41 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 t -142.99 149.85 38.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.07 -176.05 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 6.7 tt0 -101.61 -29.4 11.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -143.97 135.85 26.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.9 m -40.54 -39.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -54.81 -43.62 73.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.1 -57.14 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.16 -48.52 23.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.9 mt -60.13 -40.47 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.96 84.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.679 ' NE1' HD11 ' A' ' 14' ' ' LEU . 20.0 m95 -59.57 -48.55 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -56.94 -57.43 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.4 m-85 -52.0 -41.09 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.9 m -66.02 -46.71 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.605 HD22 ' SD ' ' A' ' 54' ' ' MET . 9.5 mt -61.8 -35.58 78.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.415 ' OE1' HD12 ' A' ' 61' ' ' ILE . 14.5 mm-40 -72.24 -34.7 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.1 -29.69 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -74.56 -21.19 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 113' ' ' ARG . 13.9 mtp-105 -53.6 -49.74 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 115' ' ' SER . 11.4 t -97.04 -40.45 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.424 ' N ' HG23 ' A' ' 114' ' ' THR . 1.5 t -69.48 88.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -179.17 149.16 8.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -7.42 20.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.1 m -39.41 -52.36 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.4 p -89.26 130.78 35.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -144.9 123.58 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 p -95.91 101.03 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.12 159.43 20.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -64.93 106.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -66.15 132.29 48.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.5 139.19 27.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -91.69 132.29 36.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.45 -59.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 40.1 tttp -149.15 140.99 23.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.6 p -130.24 133.32 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.82 175.91 41.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.654 ' O ' HD23 ' A' ' 14' ' ' LEU . 76.8 m95 -89.11 139.2 30.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.758 HD11 ' NE1' ' A' ' 105' ' ' TRP . 51.5 mt -153.83 147.36 25.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 26' ' ' LYS . 5.2 mt -88.48 150.0 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 ttp85 -136.44 110.79 8.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.97 105.12 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 m -70.26 -178.57 1.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 m -107.57 -24.59 11.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.6 mt -86.74 -48.25 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.03 -14.47 50.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt 40.83 49.74 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -152.69 153.12 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.47 114.23 11.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.4 135.51 53.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.629 ' HA ' HD23 ' A' ' 15' ' ' LEU . 15.1 tttm -64.19 133.37 52.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -142.46 165.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 64.2 t-105 -107.9 129.73 55.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 52.8 m-85 -117.64 160.3 21.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 27.7 m-20 -162.18 118.27 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -92.81 143.68 26.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.444 ' NE1' HD12 ' A' ' 38' ' ' ILE . 12.0 m95 -98.2 151.78 20.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 t -52.32 -31.66 34.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.4 -22.03 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.7 -30.51 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -50.1 136.29 19.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.9 tp -117.02 129.78 56.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.444 HD12 ' NE1' ' A' ' 32' ' ' TRP . 59.3 mt -134.24 131.56 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -118.93 157.68 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CG ' ' HG2' ' A' ' 45' ' ' ARG . 46.3 m-85 -124.51 172.04 9.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.06 -30.18 60.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -157.91 -175.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -71.94 -6.83 44.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.2 p -75.25 -22.95 57.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.467 ' HG2' ' CG ' ' A' ' 40' ' ' TYR . 37.3 mtt180 51.9 28.8 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -82.91 -43.23 16.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -114.72 103.6 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mt -65.35 117.42 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.33 -62.01 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.6 t70 -171.7 166.21 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 52' ' ' VAL . 17.2 ttpp -130.51 141.57 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 51' ' ' LYS . 22.3 t -155.92 148.3 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -93.67 167.66 11.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.629 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.0 mmm -103.03 -70.35 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.629 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.0 Cg_endo -69.74 3.44 2.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.479 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -120.62 -53.16 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 5.0 m-20 -85.01 -46.46 11.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -82.84 148.2 27.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 pt -120.91 -28.81 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.3 161.25 41.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.429 HD12 ' HG2' ' A' ' 110' ' ' GLN . 20.9 mt -122.45 120.89 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.627 ' HE ' HG21 ' A' ' 85' ' ' VAL . 73.9 mtt-85 -112.4 123.46 50.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.615 HG22 HD12 ' A' ' 82' ' ' LEU . 68.7 p -127.41 138.18 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -122.7 9.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -64.83 -36.84 85.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.709 0.29 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -52.73 -24.08 8.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 63.4 m -49.66 179.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -87.72 66.15 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 44.3 29.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 71' ' ' GLN . 1.7 pt -83.35 -174.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' N ' HG13 ' A' ' 70' ' ' ILE . 7.3 pt20 -139.84 139.65 22.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.567 ' HB3' HD21 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.72 164.15 35.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.94 149.88 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.81 38.52 30.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -146.94 136.42 11.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.723 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -173.79 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HG2' HD12 ' A' ' 81' ' ' LEU . 11.4 ttm180 -105.41 -22.04 13.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -73.59 -7.74 53.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -101.16 11.44 39.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 72' ' ' PRO . 88.9 mt -91.48 142.18 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.615 HD12 HG22 ' A' ' 63' ' ' THR . 4.1 tp -133.07 123.91 26.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -124.32 150.79 45.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mm -127.65 127.69 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.627 HG21 ' HE ' ' A' ' 62' ' ' ARG . 47.2 t -95.31 132.26 39.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.5 m -96.47 -175.45 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -90.73 -18.13 25.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -105.51 25.57 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.27 -25.21 4.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.526 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -48.61 133.3 16.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.4 m -132.1 135.75 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -111.89 127.72 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.32 126.69 42.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.513 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 55.9 mt -131.67 163.16 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 49.1 t -144.79 146.17 32.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -109.79 161.57 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -57.54 -36.09 71.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -160.04 168.77 24.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.8 m -46.96 -46.61 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.52 -48.36 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.453 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 6.1 m-20 -62.97 -40.46 97.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 35.3 t -62.81 -56.54 16.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.59 -44.76 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.1 -59.24 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.758 ' NE1' HD11 ' A' ' 14' ' ' LEU . 30.6 m95 -53.7 -53.44 52.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -47.52 -59.74 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -50.89 -37.58 44.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.2 m -66.35 -53.09 40.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.473 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 11.3 mt -60.19 -48.4 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.429 ' HG2' HD12 ' A' ' 61' ' ' ILE . 35.9 mt-30 -55.41 -25.4 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -87.94 -40.1 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 p -61.6 -14.97 34.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 115' ' ' SER . 60.7 mtm180 -59.09 -47.23 86.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 113' ' ' ARG . 12.5 t 35.24 32.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 113' ' ' ARG . 4.8 t -95.78 42.47 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.67 91.65 2.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -30.13 22.65 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.2 m -50.55 -53.57 29.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -108.26 125.35 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 p -170.02 158.97 7.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -87.31 176.03 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.18 -63.84 0.33 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.546 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -91.59 42.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -43.78 -51.79 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 60.63 0.97 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -41.74 132.97 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -44.65 -57.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -148.08 143.01 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -133.46 140.44 47.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.15 166.39 39.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.692 ' O ' HD23 ' A' ' 14' ' ' LEU . 74.4 m95 -78.23 142.94 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 13' ' ' TRP . 39.2 mt -157.78 141.75 15.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.496 HD23 ' CA ' ' A' ' 26' ' ' LYS . 32.4 mt -85.22 146.84 26.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -136.49 138.32 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.81 102.61 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -73.73 150.96 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -83.61 -5.11 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.176 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.83 -49.29 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 -8.53 49.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 43.5 40.12 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 23' ' ' ARG . 3.3 ptm85 -144.16 169.73 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -88.37 119.59 28.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -123.61 133.92 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' CA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.21 129.27 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -136.09 164.74 27.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 65.5 t-105 -104.74 123.99 48.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 45.3 m-85 -113.0 154.58 26.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.3 m-20 -156.92 119.86 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.76 140.87 29.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -94.93 172.0 8.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.1 p -74.84 -23.5 58.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.97 -0.35 57.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.39 -28.09 17.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -51.95 135.55 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 30' ' ' ASP . 35.6 tp -118.31 129.76 55.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.503 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 22.0 mt -134.43 132.81 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -121.02 160.52 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.92 160.94 31.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.34 -41.52 80.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 -176.1 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -62.24 -19.28 63.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.1 p -65.96 -30.87 71.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 57.4 45.92 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.38 -23.9 15.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -130.23 102.16 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.7 mt -64.38 100.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -46.26 -71.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.432 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 20.3 m-20 -163.66 160.89 23.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . 21.8 ttpt -124.68 141.83 51.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' LYS . 20.2 t -158.51 136.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.482 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -79.78 167.35 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.628 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.3 mmm -103.85 -70.23 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.4 Cg_endo -69.74 2.48 3.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 16.7 t -121.38 -48.04 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -92.19 -47.12 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.575 ' SG ' HG23 ' A' ' 84' ' ' ILE . 41.8 t -78.6 119.95 22.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.404 HD11 ' CG ' ' A' ' 88' ' ' ASP . 14.5 pt -101.79 -29.33 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -141.8 170.59 15.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mt -139.3 112.93 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -100.19 117.23 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.6 p -133.36 157.01 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.56 -113.27 3.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.6 m80 -92.78 -17.84 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -45.52 -52.38 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.45 ' SG ' HD13 ' A' ' 81' ' ' LEU . 3.7 p -67.78 114.88 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -119.36 -30.85 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.0 -4.87 10.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.4 ' C ' ' HG2' ' A' ' 71' ' ' GLN . 4.0 pt -121.38 -176.56 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 70' ' ' ILE . 35.5 mm-40 -144.74 133.28 10.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 140.86 43.47 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 131.27 20.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -42.21 136.13 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.09 -1.66 80.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -124.58 139.45 33.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.53 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.27 . . . . 0.0 112.344 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 67' ' ' CYS . 3.1 mtp180 -97.92 -41.97 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.58 -20.99 23.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.4 m -81.88 14.94 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.45 HD13 ' SG ' ' A' ' 67' ' ' CYS . 55.2 mt -100.06 129.28 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.672 HD21 HD11 ' A' ' 109' ' ' LEU . 5.4 tp -127.88 127.11 42.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.574 ' OE1' HG21 ' A' ' 91' ' ' THR . 6.2 tt0 -127.22 151.61 48.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.575 HG23 ' SG ' ' A' ' 58' ' ' CYS . 10.2 mm -130.97 97.93 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.66 106.92 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ARG . 28.6 t -91.24 116.46 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' CYS . 18.1 mtp180 34.21 36.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 86' ' ' CYS . 14.3 m-20 46.78 52.96 10.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.48 -51.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -115.82 90.8 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.574 HG21 ' OE1' ' A' ' 83' ' ' GLN . 92.4 m -79.51 133.12 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -108.09 115.64 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.65 116.3 28.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.555 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.4 mt -123.08 168.43 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.7 t -156.71 126.22 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.564 ' HB3' ' HB2' ' A' ' 102' ' ' CYS . . . -87.46 177.01 7.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -89.07 -48.9 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 101' ' ' ASP . 4.4 m -123.65 145.68 48.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.4 m -39.92 -44.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -41.76 93.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.7 OUTLIER -61.63 -46.27 90.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 40.5 t -63.09 -53.16 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.1 mt -56.55 -55.13 37.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -40.09 -48.62 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.688 ' NE1' HD11 ' A' ' 14' ' ' LEU . 31.5 m95 -62.63 -55.05 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 109' ' ' LEU . 33.5 tttm -44.32 -59.68 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -44.77 -51.68 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 m -60.05 -40.7 90.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.672 HD11 HD21 ' A' ' 82' ' ' LEU . 43.8 mt -63.59 -54.82 29.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.96 -42.47 37.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' SER . 5.4 t70 -65.81 -58.09 6.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.5 m -36.91 -37.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 13.1 mtp-105 -47.42 -64.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.8 t -106.06 44.05 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.6 p -70.86 110.65 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 166.42 175.91 37.12 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -45.62 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -164.5 174.79 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.6 p -121.26 125.52 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -94.5 -61.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.878 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -73.96 102.96 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.96 -66.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -69.25 140.7 54.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -116.44 -40.05 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.75 109.08 2.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -95.68 142.64 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.0 t -67.45 -58.62 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -143.44 127.83 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -117.14 128.68 55.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.476 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -164.96 172.92 40.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 82.3 m95 -92.45 130.82 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.809 HD11 ' NE1' ' A' ' 105' ' ' TRP . 60.6 mt -142.78 144.49 32.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 26' ' ' LYS . 81.7 mt -79.1 146.45 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -141.2 127.79 20.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -85.17 117.33 24.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -80.3 177.55 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.5 p -98.44 -29.27 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.7 -45.8 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt -78.31 -23.7 46.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttp 42.36 48.8 4.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -150.49 151.09 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -75.07 116.71 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -125.8 135.91 52.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.36 130.74 43.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -135.86 165.11 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.476 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 27.4 t-105 -98.1 117.95 33.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 31.7 m-85 -105.99 151.87 24.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -156.21 112.6 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 37' ' ' LEU . 7.6 tp -88.14 148.64 24.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -101.6 150.17 23.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -51.84 -38.87 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.808 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -69.3 -28.93 66.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.99 -27.47 3.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -53.61 136.11 39.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HB2' HD12 ' A' ' 31' ' ' LEU . 28.4 tp -116.87 130.16 56.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.648 HD11 ' HE2' ' A' ' 51' ' ' LYS . 73.8 mt -137.45 128.09 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -116.0 157.61 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.71 ' CD2' HD13 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -122.83 178.88 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.13 -37.99 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -145.5 178.67 7.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.43 -14.41 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -67.27 -24.41 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 28.8 mtt85 56.88 28.79 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -91.99 -27.04 18.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -120.37 110.71 16.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.71 HD13 ' CD2' ' A' ' 40' ' ' TYR . 39.2 mm -75.55 129.55 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.73 -51.09 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.8 t70 -174.29 -178.92 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.648 ' HE2' HD11 ' A' ' 38' ' ' ILE . 19.6 ttmt -147.6 137.81 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 51' ' ' LYS . 32.2 t -157.79 151.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.477 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -97.77 167.16 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.4 mmm -103.9 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.2 Cg_endo -69.7 2.73 3.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 15.5 t -121.79 -47.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 4.1 m-20 -92.63 -47.72 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.533 ' SG ' HG23 ' A' ' 84' ' ' ILE . 43.8 t -76.93 144.99 38.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 pt -127.77 -29.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.406 ' CA ' HH22 ' A' ' 113' ' ' ARG . 5.2 t30 -143.05 158.33 43.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.507 HD11 ' HE1' ' A' ' 54' ' ' MET . 20.4 mt -131.17 111.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -91.14 119.36 31.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.52 ' CG2' HD12 ' A' ' 82' ' ' LEU . 32.1 p -140.4 134.98 31.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.58 -114.74 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -89.74 31.41 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.765 0.316 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.14 -25.5 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.1 106.43 17.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.3 ptt-85 -121.81 -7.19 9.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -101.61 4.16 40.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 pt -127.29 -177.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -144.98 122.46 6.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.91 61.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.75 23.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -44.45 115.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.65 -38.47 2.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -87.49 142.99 33.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -167.03 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.472 ' HG2' HD12 ' A' ' 81' ' ' LEU . 11.0 ttt85 -104.15 -33.86 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -67.5 -6.46 19.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.66 10.01 42.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.472 HD12 ' HG2' ' A' ' 78' ' ' ARG . 63.1 mt -91.99 127.79 37.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.637 HD21 HD11 ' A' ' 109' ' ' LEU . 8.3 tp -122.4 126.06 47.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.647 ' OE1' HG21 ' A' ' 91' ' ' THR . 5.8 tt0 -121.47 147.63 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.559 HD13 ' O ' ' A' ' 83' ' ' GLN . 36.3 mm -126.95 92.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -73.78 124.3 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.53 -179.41 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 44.6 mtt180 -68.4 -59.58 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.98 -67.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.67 -37.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' GLY . 32.2 tttm -35.34 120.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.647 HG21 ' OE1' ' A' ' 83' ' ' GLN . 38.1 m -114.65 137.83 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.2 mt -107.82 122.15 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -98.74 113.56 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.1 mt -120.76 164.59 16.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -149.98 138.39 20.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -105.04 154.86 19.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -45.91 -41.14 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.9 t -159.24 164.86 34.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.1 m -42.74 -54.71 3.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -43.92 -46.12 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.577 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.0 m-20 -65.03 -55.56 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.7 t -49.28 -54.8 15.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.4 mt -48.62 -52.76 21.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -44.11 -56.89 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.809 ' NE1' HD11 ' A' ' 14' ' ' LEU . 43.4 m95 -58.4 -55.1 39.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 109' ' ' LEU . 25.6 tttm -41.12 -59.48 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -46.42 -49.91 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.2 m -58.08 -39.88 79.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 82' ' ' LEU . 21.8 mt -68.87 -57.79 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.571 ' O ' HG22 ' A' ' 114' ' ' THR . 21.9 mm-40 -52.95 -26.47 15.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.61 -34.63 17.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 p -71.71 -20.75 61.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.412 ' NH2' HG13 ' A' ' 61' ' ' ILE . 6.3 ptp180 -89.33 -11.5 43.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 110' ' ' GLN . 13.2 t -132.14 47.86 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.2 t -150.5 112.7 4.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.34 -86.63 0.33 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.8 Cg_endo -69.8 -29.45 23.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 117' ' ' PRO . 8.2 m -34.64 122.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 m 51.94 47.42 24.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -113.58 168.57 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -134.82 126.86 29.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -170.68 -39.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.4 m -35.56 -48.3 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 p -147.89 119.24 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.13 130.31 13.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -96.5 136.36 37.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 t -60.11 -58.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 105' ' ' TRP . 52.6 tttt -143.92 134.37 24.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.7 p -132.29 139.39 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.62 176.15 45.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.425 ' CD1' ' CZ3' ' A' ' 28' ' ' TRP . 72.8 m95 -92.09 139.08 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.799 HD11 ' NE1' ' A' ' 105' ' ' TRP . 69.1 mt -151.98 149.29 28.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 17.1 mt -80.31 151.52 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -146.83 120.82 9.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -81.61 106.32 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 p -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.4 p -93.67 -34.51 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -78.65 -66.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' LYS . 30.6 mt -65.48 -15.91 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' LEU . 25.8 mtmt 37.96 54.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -153.17 158.25 41.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 71' ' ' GLN . 95.3 m95 -80.75 106.95 13.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -113.88 143.08 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 15' ' ' LEU . 1.2 tppt? -75.09 127.47 33.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -131.26 174.9 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.425 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 59.1 t-105 -110.66 113.94 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 69.4 m-85 -105.68 143.92 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.96 125.41 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 tp -93.9 145.91 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.691 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.2 m0 -100.5 157.63 16.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -59.63 -35.95 75.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -75.91 -9.27 58.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.82 -36.71 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.482 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 14.5 m80 -43.43 135.04 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -116.88 130.03 56.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.691 HD12 ' CE2' ' A' ' 32' ' ' TRP . 35.4 mt -134.31 136.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.543 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -126.43 150.83 48.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CE2' HG12 ' A' ' 48' ' ' ILE . 48.1 m-85 -118.39 168.87 10.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.49 -44.9 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.5 OUTLIER -140.26 177.4 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -62.74 -8.48 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.5 p -77.53 -18.56 56.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 63.6 mtt180 49.35 41.63 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -99.62 -30.58 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.04 86.73 2.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.554 HG12 ' CE2' ' A' ' 40' ' ' TYR . 97.0 mt -56.14 111.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.77 -61.23 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 27.7 t70 -173.4 158.22 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -123.5 133.25 54.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -153.28 136.14 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 2.6 t-160 -78.97 167.32 21.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.839 ' HE1' HD11 ' A' ' 61' ' ' ILE . 27.0 mmm -102.87 -70.36 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.76 3.77 2.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 3.4 t -122.36 -50.42 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -89.58 -52.47 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.602 ' SG ' HG23 ' A' ' 84' ' ' ILE . 37.5 t -69.86 125.18 25.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.39 -23.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.16 152.02 29.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.839 HD11 ' HE1' ' A' ' 54' ' ' MET . 89.8 mt -123.53 113.01 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -97.16 122.27 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 HG22 ' A' ' 61' ' ' ILE . 48.9 p -138.05 145.56 41.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.54 -106.63 2.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' GLU . 91.4 m-70 -93.07 -35.0 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.737 0.303 . . . . 0.0 110.832 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' HIS . 6.7 mm-40 -34.17 -50.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.8 p -72.13 115.15 11.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -124.27 -21.33 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -80.83 13.44 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.3 pt -133.35 -176.9 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 13.6 pt20 -143.05 124.9 8.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HB3' HD11 ' A' ' 81' ' ' LEU . 54.2 Cg_endo -69.77 148.46 65.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.91 55.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -55.83 128.14 33.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 21.95 38.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -143.68 136.73 13.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.552 0.692 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -170.27 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -96.07 -37.3 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.3 -12.49 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.3 p -93.99 12.04 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 72' ' ' PRO . 88.6 mt -98.17 128.94 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.574 HD21 HD11 ' A' ' 109' ' ' LEU . 5.1 tp -120.69 125.91 48.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.41 ' OE1' HG21 ' A' ' 91' ' ' THR . 11.3 tt0 -127.9 149.74 50.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.602 HG23 ' SG ' ' A' ' 58' ' ' CYS . 11.8 mm -130.83 100.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.57 141.02 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.1 m -106.81 -175.0 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -84.99 -38.59 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.26 24.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 84.9 -36.91 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLY . 62.8 tttm -35.22 148.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.41 HG21 ' OE1' ' A' ' 83' ' ' GLN . 20.2 m -150.84 137.5 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.0 mt -107.9 122.38 62.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -93.88 117.93 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 7.1 mt -128.56 164.71 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 41.9 t -153.63 137.21 15.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -103.73 159.47 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -50.36 -56.0 13.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.5 p -135.03 163.67 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.5 m -44.17 -54.41 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -46.16 -46.34 17.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.631 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 33.3 m-20 -59.59 -47.69 84.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.83 -56.2 19.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.3 mt -47.59 -48.15 28.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.403 ' HB1' ' NZ ' ' A' ' 10' ' ' LYS . . . -47.1 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.799 ' NE1' HD11 ' A' ' 14' ' ' LEU . 39.0 m95 -53.08 -55.89 20.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -42.18 -58.28 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 22.4 m-85 -45.86 -49.14 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.1 m -62.28 -51.99 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.574 HD11 HD21 ' A' ' 82' ' ' LEU . 39.0 mt -53.01 -48.45 67.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -62.93 -35.77 81.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.24 -35.4 78.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.7 p -65.85 -12.32 53.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -93.99 37.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.09 -53.21 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 m -63.96 123.65 19.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.68 83.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 131.32 20.92 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.258 . . . . 0.0 112.321 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.1 p -168.83 117.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 56.7 m -44.99 -62.66 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -153.25 152.93 31.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -90.01 157.01 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.34 -130.72 10.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -142.51 126.73 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -72.83 129.75 38.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.53 136.5 13.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 12.5 m-85 -87.43 135.42 33.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -49.5 -62.23 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 46.4 tttp -136.08 144.44 45.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 39.5 p -136.98 141.85 42.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -177.24 175.16 47.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.449 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.537 ' O ' HD23 ' A' ' 14' ' ' LEU . 85.4 m95 -92.73 137.32 32.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.579 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.1 mt -147.82 142.36 26.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -84.1 126.83 33.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.6 ttt-85 -121.23 115.6 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -71.91 122.88 21.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -98.6 170.0 9.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -87.31 -35.36 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -71.58 -68.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.1 mt -65.6 -8.25 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.2 mtmp? 35.39 54.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -166.21 167.23 16.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -80.27 125.51 29.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -126.29 128.63 47.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -63.89 132.22 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -136.43 175.93 9.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 57.6 t-105 -115.09 113.32 23.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 35.8 m-85 -100.11 150.14 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.52 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 7.1 m-20 -154.74 112.83 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 tp -85.74 140.58 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.3 161.2 14.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 p -66.77 -24.56 66.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.74 9.97 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.32 -38.89 3.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -43.07 135.21 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.0 tp -120.26 129.67 54.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.4 mt -136.11 134.72 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 1.7 p90 -123.91 152.06 42.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' A' ' 45' ' ' ARG . 21.8 m-85 -117.29 178.96 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 19.4 t0 -81.36 -22.77 38.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 64.6 m-20 -163.61 -174.97 3.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.556 ' NE2' ' H ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -76.64 47.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 p -114.76 -14.72 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.453 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 15.7 mtt180 41.15 29.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -119.26 -33.35 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -102.83 76.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.426 HG12 ' CE2' ' A' ' 40' ' ' TYR . 82.2 mt -55.81 116.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -73.3 -48.37 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 26.8 t0 -169.45 172.07 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -140.99 134.01 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG13 ' CB ' ' A' ' 57' ' ' ASP . 17.6 t -152.58 137.11 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.465 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -82.56 166.46 19.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.625 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 26.5 mmm -101.12 -70.05 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.625 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.73 3.36 2.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.465 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.5 t -122.38 -50.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' CB ' HG13 ' A' ' 52' ' ' VAL . 1.3 t70 -84.1 -61.68 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.9 t -69.38 133.89 48.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.405 HG23 ' HG3' ' A' ' 87' ' ' ARG . 5.0 pt -109.98 -27.87 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -139.91 161.61 37.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.606 HD11 ' HE1' ' A' ' 54' ' ' MET . 89.3 mt -135.31 126.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.652 ' NH1' HG21 ' A' ' 85' ' ' VAL . 15.6 mtt85 -125.55 148.91 48.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.793 HG22 HD12 ' A' ' 82' ' ' LEU . 15.3 p -138.76 152.47 47.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.34 -139.3 41.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -51.44 -36.01 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -49.13 -34.85 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.481 ' HB3' ' NE2' ' A' ' 83' ' ' GLN . 34.1 m -57.28 164.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -51.83 -174.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -75.71 45.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 71' ' ' GLN . 3.0 pt -89.56 -174.76 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' N ' HG13 ' A' ' 70' ' ' ILE . 3.4 pm0 -144.35 141.6 18.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD3' ' NH1' ' A' ' 78' ' ' ARG . 53.8 Cg_endo -69.77 155.19 66.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -164.62 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.44 149.54 30.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.44 43.81 15.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HZ1' ' HA ' ' A' ' 97' ' ' GLU . 14.6 mmtt -146.41 131.94 9.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 173.62 10.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.318 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' NH1' ' HD3' ' A' ' 72' ' ' PRO . 9.4 ttm-85 -102.23 11.78 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.53 -13.04 16.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.58 5.4 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -74.93 141.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.793 HD12 HG22 ' A' ' 63' ' ' THR . 6.2 tp -133.99 133.92 41.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 67' ' ' CYS . 13.4 tt0 -131.82 153.22 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mm -132.67 127.71 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.652 HG21 ' NH1' ' A' ' 62' ' ' ARG . 39.3 t -95.63 120.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.3 m -88.45 -175.72 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' HG3' HG23 ' A' ' 59' ' ' ILE . 22.8 mtp85 -89.99 -9.14 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -106.38 44.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 47.33 20.62 0.95 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -89.65 156.67 18.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.6 m -140.46 128.73 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -109.41 118.51 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 m -88.27 122.76 32.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.9 mt -128.38 164.35 22.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.0 t -144.55 137.44 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 97' ' ' GLU . . . -104.89 141.23 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.504 ' HA ' ' HZ1' ' A' ' 76' ' ' LYS . 5.8 tt0 -37.7 -48.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -146.61 165.41 29.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 85.9 m -45.54 -54.24 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -49.2 -44.82 43.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.75 -43.22 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.9 t -61.73 -53.29 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 21.9 mt -51.83 -49.09 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.53 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.579 ' NE1' HD11 ' A' ' 14' ' ' LEU . 21.6 m95 -64.72 -46.62 81.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.608 ' HD2' HG21 ' A' ' 63' ' ' THR . 30.7 tttp -57.32 -48.15 79.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 103' ' ' LEU . 23.5 m-85 -58.04 -51.83 68.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.2 m -62.02 -36.5 81.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 105' ' ' TRP . 9.3 mt -72.84 -30.35 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -78.63 -37.12 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -82.92 -20.63 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -81.06 -21.54 39.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -88.38 -31.62 18.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.59 43.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.6 p -78.07 109.31 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.96 83.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.01 22.52 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.728 2.286 . . . . 0.0 112.318 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.6 p -76.02 157.95 32.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.9 p -155.68 144.5 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -142.77 133.65 25.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.825 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -81.51 149.67 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.58 -74.84 0.22 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -47.04 173.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -83.04 160.83 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.92 133.79 11.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -93.43 135.45 34.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.8 t -46.14 -58.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 49.6 tttp -143.17 144.36 32.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.486 ' CB ' ' OD1' ' A' ' 30' ' ' ASP . 82.8 p -133.77 141.37 47.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.411 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -174.25 158.17 26.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.778 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.3 m95 -77.29 135.59 38.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 13' ' ' TRP . 31.0 mt -148.0 139.75 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -84.29 124.36 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 35.6 ttp85 -112.92 132.03 55.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -83.8 96.37 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 m -64.68 174.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 p -97.25 -25.93 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mt -88.91 -58.58 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.13 -14.96 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 39.68 52.77 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -166.01 164.72 18.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -76.96 113.68 14.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -116.47 133.39 56.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 2.6 ttpm? -63.64 130.57 44.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -137.56 175.11 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.459 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 37.3 t-105 -117.83 112.52 20.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 63.5 m-85 -98.69 148.93 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' OD1' ' CB ' ' A' ' 11' ' ' SER . 72.3 m-20 -155.35 114.15 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.63 HD12 ' HB2' ' A' ' 37' ' ' LEU . 8.5 tp -86.83 147.02 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.0 m0 -100.35 171.53 7.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 t -71.39 -29.74 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.02 8.15 16.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.43 -34.47 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -46.42 134.27 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.63 ' HB2' HD12 ' A' ' 31' ' ' LEU . 19.7 tp -117.06 129.53 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.708 HD11 ' HE2' ' A' ' 51' ' ' LYS . 42.0 mt -135.19 132.51 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 1.2 p90 -119.9 159.97 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.541 ' CE2' ' HG2' ' A' ' 45' ' ' ARG . 26.2 m-85 -125.35 175.31 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 16.0 t0 -74.01 -28.15 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 19.6 m-20 -161.82 -175.51 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.63 ' NE2' ' H ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -75.76 48.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.416 HG23 ' OE1' ' A' ' 43' ' ' GLN . 7.0 p -118.55 -27.14 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 60.6 mtt180 55.76 36.48 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -120.37 -29.91 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.8 t -104.72 68.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.0 mt -46.06 92.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' SER . 32.0 mm-40 -51.53 -59.26 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 10.5 t0 -167.11 176.47 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.708 ' HE2' HD11 ' A' ' 38' ' ' ILE . 28.0 ttmt -141.69 130.12 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.0 t -142.7 138.23 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.471 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.96 166.99 15.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.633 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.2 mmm -102.19 -69.99 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.525 0.679 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.633 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.8 1.71 4.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.621 2.214 . . . . 0.0 112.343 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.9 t -121.05 -48.21 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 1.1 t70 -88.33 -44.86 10.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 84' ' ' ILE . 13.0 t -85.96 138.72 31.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 pt -119.89 -29.54 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -138.07 149.16 45.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.6 HD11 ' HE1' ' A' ' 54' ' ' MET . 79.7 mt -122.88 134.55 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -132.06 149.32 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.41 ' CG2' HD12 ' A' ' 82' ' ' LEU . 1.3 p -138.68 132.82 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.86 -133.74 31.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -50.73 -47.91 59.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -40.99 -40.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.487 ' HB3' ' NE2' ' A' ' 83' ' ' GLN . 3.6 m -56.37 169.57 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' CYS . 13.5 mtt180 -51.78 -174.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.33 41.23 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.471 HD13 HE21 ' A' ' 83' ' ' GLN . 3.9 pt -84.51 -174.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.92 144.11 27.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HA ' HD21 ' A' ' 81' ' ' LEU . 53.1 Cg_endo -69.83 154.67 67.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.0 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -76.48 140.08 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' C ' ' HG2' ' A' ' 76' ' ' LYS . . . 61.2 41.05 99.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HG2' ' C ' ' A' ' 75' ' ' GLY . 8.6 mmmm -153.75 137.68 10.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.65 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.291 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -103.91 -34.55 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.28 -12.46 41.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.5 p -93.44 10.29 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.427 HD21 ' HA ' ' A' ' 72' ' ' PRO . 81.3 mt -89.0 138.75 31.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.594 HD23 HD12 ' A' ' 94' ' ' LEU . 6.9 tp -130.45 127.9 40.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.487 ' NE2' ' HB3' ' A' ' 67' ' ' CYS . 10.4 tt0 -122.79 153.3 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 83' ' ' GLN . 13.2 mm -133.66 114.18 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.99 110.08 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 98.1 m -83.26 -177.4 6.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -79.71 -39.57 30.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' LYS . 7.0 t0 -88.89 53.26 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.46 26.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 88' ' ' ASP . 75.9 tttt -92.61 95.15 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.437 HG23 ' HG2' ' A' ' 83' ' ' GLN . 91.2 m -87.21 126.79 35.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.2 mt -105.43 118.92 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 m -88.47 119.34 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.594 HD12 HD23 ' A' ' 82' ' ' LEU . 41.8 mt -123.34 155.59 36.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 t -138.95 134.8 33.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -102.45 154.15 19.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -59.69 -50.7 72.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.1 t -137.59 151.0 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.6 m -38.76 -37.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -55.9 -51.02 69.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.897 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.3 t70 -57.45 -52.73 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 5.5 t -52.2 -53.67 40.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -55.1 -50.52 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.0 -43.67 70.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.572 ' NE1' HD11 ' A' ' 14' ' ' LEU . 19.4 m95 -66.27 -49.51 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -53.61 -54.56 35.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -54.48 -46.06 73.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.7 m -61.24 -47.57 85.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.8 -43.56 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -75.23 -53.23 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.6 p -40.96 -31.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -48.06 -56.8 6.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.0 t -84.14 -33.82 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 m -95.33 112.6 24.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -167.4 -94.04 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.8 60.93 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.304 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 60.1 p -132.38 111.78 11.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.2 t -115.53 126.81 54.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -68.37 95.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -66.56 146.39 54.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.45 102.88 0.91 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -122.52 135.9 54.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -145.37 132.42 20.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.26 133.0 11.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -91.38 127.44 36.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.0 t -49.32 -58.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 45.2 tttp -147.99 143.59 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 p -135.24 131.55 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -163.41 169.69 38.56 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.845 ' O ' HD23 ' A' ' 14' ' ' LEU . 78.0 m95 -81.62 135.98 35.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.7 mt -151.43 139.08 19.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 26' ' ' LYS . 15.6 mt -81.2 154.58 26.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -142.72 126.4 16.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -86.23 106.56 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -84.1 165.68 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.3 p -82.98 -26.19 31.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.34 -58.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD22 ' HD2' ' A' ' 25' ' ' LYS . 6.1 mp -67.22 -21.15 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm 39.56 48.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -164.59 152.46 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -68.74 116.63 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD2' HD22 ' A' ' 21' ' ' LEU . 20.7 ptmt -121.56 128.54 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -52.94 127.77 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -136.96 156.8 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.496 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 38.8 t-105 -103.13 130.06 50.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 50.2 m-85 -117.16 149.98 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -153.52 113.42 3.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -89.41 146.24 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -99.6 147.57 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.7 t -50.66 -33.93 24.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -70.71 -33.19 70.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.51 -23.05 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -57.67 139.05 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -116.87 129.72 56.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.1 mt -137.64 128.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 28' ' ' TRP . 1.0 OUTLIER -121.45 150.92 40.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.402 ' CG ' ' HA ' ' A' ' 45' ' ' ARG . 37.6 m-85 -116.76 176.21 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.68 -37.71 79.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -160.82 -177.58 6.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.04 -28.7 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -42.72 -41.53 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 54.5 mtt180 56.22 30.26 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -113.14 -30.25 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -102.63 79.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.28 120.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -78.01 -64.14 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 10.3 m-20 -160.81 153.61 21.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 52' ' ' VAL . 16.1 ttpt -123.18 140.41 53.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 51' ' ' LYS . 29.5 t -157.68 148.41 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.475 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -91.41 167.16 12.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.627 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.4 mmm -103.79 -70.02 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.7 Cg_endo -69.77 3.33 2.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.0 t -121.47 -50.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -88.39 -53.47 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.7 t -69.09 122.49 18.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.9 pt -102.18 -29.94 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -142.77 159.07 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.8 mt -125.85 112.32 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -105.98 128.78 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.765 HG22 HD12 ' A' ' 82' ' ' LEU . 76.5 p -136.63 136.9 39.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.51 -137.58 19.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.515 ' H ' ' CD2' ' A' ' 65' ' ' HIS . 13.2 m-70 -55.04 -26.42 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.13 -41.61 62.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.463 ' HB3' HD13 ' A' ' 70' ' ' ILE . 19.7 m -52.12 160.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 70' ' ' ILE . 12.6 tpt180 -151.55 150.81 30.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 0.6 OUTLIER 64.13 28.56 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 68' ' ' ARG . 4.5 pt -140.43 -176.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -167.22 137.2 2.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.721 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.59 68.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -171.48 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -94.55 109.05 20.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.84 8.69 20.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -130.56 140.92 40.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.81 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -94.36 -32.13 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.484 ' OD2' HG23 ' A' ' 99' ' ' THR . 12.3 t70 -65.5 -9.82 29.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -93.58 12.08 26.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.88 123.66 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.765 HD12 HG22 ' A' ' 63' ' ' THR . 4.9 tp -119.76 135.96 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -133.6 146.89 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.1 mm -126.41 103.58 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.0 t -77.85 120.64 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.31 171.74 12.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.62 -61.59 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.15 -63.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 175.16 -30.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' GLY . 35.4 tttp -36.04 101.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -98.88 134.95 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.5 mt -110.01 120.11 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.41 120.61 33.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.554 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 11.5 mt -128.51 158.59 37.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.6 t -144.45 117.89 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.73 170.06 15.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -76.92 -34.12 57.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' ASP . 2.3 t -149.75 146.18 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.484 HG23 ' OD2' ' A' ' 79' ' ' ASP . 28.3 m -36.66 -48.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.95 -44.57 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' SER . 3.3 m-20 -65.12 -36.67 85.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.87 -39.26 83.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.27 -42.24 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.53 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.569 ' CE2' HD11 ' A' ' 14' ' ' LEU . 28.2 m95 -65.47 -47.42 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.642 ' HD2' HG21 ' A' ' 63' ' ' THR . 37.5 tttp -52.95 -58.07 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -49.89 -48.04 51.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.3 m -58.46 -41.54 85.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.65 -43.55 76.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.54 -14.44 51.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.93 -42.71 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 p -56.47 -20.29 19.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 113' ' ' ARG . 4.4 mtm105 -54.84 -68.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.6 t -74.99 -7.99 55.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -106.67 47.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.29 167.33 13.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.17 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.638 2.226 . . . . 0.0 112.342 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.7 m -148.38 168.11 23.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 98.3 p -63.76 -46.32 85.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -167.07 111.36 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -157.32 136.25 11.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.81 -133.71 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.413 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -82.52 41.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 m -57.41 101.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.49 132.87 51.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -89.73 135.63 33.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.96 -60.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 11' ' ' SER . 49.2 tttp -144.23 151.39 39.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 92.0 p -135.8 145.0 46.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 163.35 32.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.528 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.736 ' O ' HD23 ' A' ' 14' ' ' LEU . 66.0 m95 -82.83 137.84 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 13' ' ' TRP . 34.6 mt -151.58 143.62 23.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 26' ' ' LYS . 10.7 mt -90.86 139.33 30.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -124.37 133.2 53.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -81.6 110.03 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -82.18 157.11 24.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -81.71 -55.43 4.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.08 -57.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.3 -38.59 91.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mttm 61.07 46.42 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -157.15 158.18 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 90.0 m95 -77.16 112.04 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -113.68 130.16 56.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 16.7 tttp -59.52 138.33 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -148.17 156.01 42.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.442 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 43.3 t-105 -95.69 113.65 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 49.5 m-85 -101.59 151.91 21.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.626 ' O ' HD12 ' A' ' 37' ' ' LEU . 6.1 m-20 -159.48 126.8 4.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 112' ' ' SER . 10.2 tp -95.13 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.845 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 10.9 m95 -100.54 163.96 12.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.7 p -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.81 16.21 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.55 -39.68 3.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -38.71 134.04 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 30' ' ' ASP . 23.6 tp -119.82 129.68 54.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.845 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 64.7 mt -134.51 126.08 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 142.35 46.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.718 ' CD2' HD13 ' A' ' 48' ' ' ILE . 1.1 m-85 -110.76 155.14 22.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.494 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 3.1 t0 -46.91 -39.7 12.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -175.07 177.02 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.44 ' C ' ' OE1' ' A' ' 43' ' ' GLN . 1.0 OUTLIER -37.79 -27.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' ASP . 52.6 p -40.14 -30.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 43.75 30.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -123.26 -30.98 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 94.63 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.718 HD13 ' CD2' ' A' ' 40' ' ' TYR . 38.2 mm -64.54 120.45 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 11.3 mm-40 -75.15 -56.77 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -175.07 165.67 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 38' ' ' ILE . 25.8 ttmt -129.76 139.86 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -152.85 139.75 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.465 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -85.93 166.95 15.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.641 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 29.8 mmm -104.95 -70.49 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.79 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' NE ' ' A' ' 87' ' ' ARG . 69.0 t -123.15 -47.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.4 m-20 -92.24 -41.4 10.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.669 ' SG ' HG23 ' A' ' 84' ' ' ILE . 51.9 t -86.53 130.59 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -116.16 -24.31 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -146.14 153.32 40.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 54' ' ' MET . 87.8 mt -126.78 113.05 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.451 ' HB3' ' CB ' ' A' ' 66' ' ' GLU . 69.6 mtt180 -100.1 118.11 35.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.431 HG23 HG22 ' A' ' 61' ' ' ILE . 40.0 p -140.95 137.31 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.12 -104.02 2.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -96.13 36.84 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 62' ' ' ARG . 20.2 mt-10 -117.58 -38.56 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.8 p -87.26 125.12 34.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -130.39 -32.32 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.9 -5.6 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.1 pt -122.37 -175.39 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -153.86 137.39 10.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HD3' HD11 ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.72 148.19 64.79 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 74' ' ' ASP . 53.9 Cg_endo -69.75 131.27 20.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.302 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 27.7 t70 -36.35 112.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.06 -39.87 2.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -87.22 142.41 33.52 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -167.07 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -100.19 -38.68 8.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.46 -17.34 53.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -88.43 11.87 15.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.446 HD11 ' HD3' ' A' ' 72' ' ' PRO . 69.3 mt -91.64 134.37 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD21 HD11 ' A' ' 109' ' ' LEU . 3.0 tp -125.95 132.17 52.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.401 ' HG2' ' CG2' ' A' ' 91' ' ' THR . 21.9 tt0 -135.75 137.21 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.669 HG23 ' SG ' ' A' ' 58' ' ' CYS . 20.5 mm -116.73 101.31 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.12 108.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.45 155.41 16.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 56' ' ' VAL . 40.9 mtt180 -51.07 178.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.5 t70 54.63 45.58 26.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 48.11 34.8 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -98.8 158.42 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.401 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 61.0 m -158.16 138.91 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mt -111.73 130.62 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.477 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.5 m -95.96 123.38 39.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 93' ' ' SER . 19.2 mt -136.47 156.26 48.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 8.9 t -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.44 152.79 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -48.56 -48.05 38.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 t -148.53 164.66 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -40.31 -50.69 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -51.76 -54.63 26.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -44.95 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 39.9 t -59.25 -62.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.632 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 17.0 mt -44.75 -56.06 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -42.66 -59.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.483 ' CE2' HD11 ' A' ' 14' ' ' LEU . 39.1 m95 -58.72 -44.92 90.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -53.08 -52.47 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.632 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 26.6 m-85 -52.21 -52.39 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m -58.66 -48.26 81.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 82' ' ' LEU . 25.9 mt -58.51 -44.89 89.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -60.44 -18.72 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.692 ' O ' HG22 ' A' ' 114' ' ' THR . 21.2 t0 -94.31 -53.92 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.541 ' HB3' HD21 ' A' ' 31' ' ' LEU . 87.9 p -48.35 -38.35 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 115' ' ' SER . 9.3 ptm180 -66.43 -27.3 67.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.692 HG22 ' O ' ' A' ' 111' ' ' ASP . 13.3 t -34.23 -35.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 113' ' ' ARG . 7.9 t 44.37 48.6 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.448 ' H ' HG23 ' A' ' 114' ' ' THR . . . 165.04 -163.48 36.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.417 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 127.63 14.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.4 t -82.22 -50.07 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.4 p -124.7 153.62 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -166.72 160.56 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.833 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -148.64 173.55 13.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.46 124.14 2.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -90.29 147.84 23.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -116.68 -53.51 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.86 105.92 2.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -85.4 134.03 34.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -55.77 -58.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -142.34 136.86 30.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.443 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 73.3 p -129.2 128.79 44.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.61 175.23 37.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.716 ' O ' HD23 ' A' ' 14' ' ' LEU . 72.1 m95 -92.46 131.2 37.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 ' NE1' ' A' ' 105' ' ' TRP . 24.8 mt -148.42 147.75 29.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 mt -83.4 155.74 23.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -145.78 126.77 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.79 108.06 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.17 173.23 11.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 p -109.61 0.99 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -112.48 -39.21 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.2 mt -99.98 -7.35 25.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 39.46 48.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.4 148.64 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -68.55 111.73 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -114.51 129.2 56.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 5.9 ttpp -60.54 129.87 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -134.76 171.46 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 64.1 t-105 -112.21 111.65 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.477 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 65.0 m-85 -99.02 155.61 17.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 37' ' ' LEU . 68.8 m-20 -156.78 112.66 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -88.71 139.83 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.633 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -93.5 175.03 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -76.77 -29.13 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.03 -2.89 56.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.59 -24.55 28.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.435 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -56.08 135.1 53.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 30' ' ' ASP . 28.7 tp -118.01 130.34 56.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.633 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 21.0 mt -133.03 127.32 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.596 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -114.48 155.75 25.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 32.6 m-85 -123.64 172.1 9.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.42 -46.5 48.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -139.62 179.8 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -59.85 -28.73 67.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 p -56.77 -21.07 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 55.1 mtm180 47.22 43.14 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.37 -23.07 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -117.25 93.35 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.2 mt -60.01 108.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.99 -60.49 3.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.2 m-20 -171.67 164.32 6.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -126.84 135.35 50.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.4 t -151.04 140.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.486 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.7 167.65 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.632 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.8 mmm -104.3 -70.62 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.632 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.486 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 24.4 t -122.05 -45.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 1.0 OUTLIER -94.3 -42.3 8.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.563 ' SG ' HG23 ' A' ' 84' ' ' ILE . 27.6 t -85.65 133.3 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 pt -116.06 -25.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -147.73 157.66 43.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.922 HD12 ' OE1' ' A' ' 110' ' ' GLN . 34.8 mt -129.67 110.81 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -95.41 127.21 41.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.574 ' CG2' HD12 ' A' ' 82' ' ' LEU . 68.2 p -140.73 150.04 42.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.29 -114.86 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -80.47 -24.43 39.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -47.09 -50.38 20.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.1 p -74.41 117.38 16.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -126.59 -9.2 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -89.16 -5.86 57.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.6 pt -120.88 -179.67 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -142.43 137.37 15.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.604 0.716 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.6 65.5 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.353 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -80.06 141.58 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.8 47.94 51.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -150.02 122.83 4.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.549 0.69 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.99 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -97.97 -26.34 14.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.479 ' HB2' HG23 ' A' ' 99' ' ' THR . 0.1 OUTLIER -62.76 -19.05 63.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 28.0 p -96.03 15.69 19.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.9 mt -98.73 132.51 44.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.574 HD12 ' CG2' ' A' ' 63' ' ' THR . 6.1 tp -131.01 137.93 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.654 ' OE1' HG21 ' A' ' 91' ' ' THR . 7.9 tt0 -134.9 163.82 28.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 83' ' ' GLN . 6.6 mm -141.32 111.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.0 124.5 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 30.1 m -89.23 174.57 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.0 -64.36 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -61.86 -48.43 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 161.85 -30.57 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' GLY . 65.8 tttt -34.34 103.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.654 HG21 ' OE1' ' A' ' 83' ' ' GLN . 88.2 m -101.59 134.83 44.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.5 mt -107.35 123.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 m -94.48 122.95 37.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.477 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 56.9 mt -131.29 163.37 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.0 t -146.57 138.55 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.847 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -98.79 165.62 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -69.09 -44.21 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 101' ' ' ASP . 64.6 m -147.24 153.81 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 79' ' ' ASP . 5.2 m -36.86 -39.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.27 -48.47 81.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.847 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 3.6 t70 -60.62 -42.21 96.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.6 t -63.87 -48.99 74.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 11.3 mt -58.28 -46.49 85.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.89 -53.52 51.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.785 ' NE1' HD11 ' A' ' 14' ' ' LEU . 32.2 m95 -60.77 -57.16 13.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -43.75 -47.4 7.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.0 m-85 -63.2 -49.09 75.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.5 m -58.27 -36.43 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.44 -43.01 61.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.922 ' OE1' HD12 ' A' ' 61' ' ' ILE . 15.0 mm100 -63.44 -22.17 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -86.11 -41.48 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.4 p -58.94 -13.44 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.68 -59.06 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.6 t -84.86 6.88 22.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -111.38 104.87 13.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 151.38 -92.11 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 142.81 49.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -115.63 143.76 44.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -64.12 -50.42 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.439 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -51.35 121.72 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -66.68 139.73 57.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.08 159.36 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -86.62 176.06 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -99.99 99.32 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.96 130.82 10.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 30' ' ' ASP . 13.6 m-85 -95.35 134.32 38.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -52.26 -61.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 52.7 tttp -135.16 148.46 49.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.0 p -144.4 133.89 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.25 162.98 36.23 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.75 ' O ' HD23 ' A' ' 14' ' ' LEU . 50.2 m95 -78.42 130.49 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.89 HD11 ' NE1' ' A' ' 105' ' ' TRP . 39.6 mt -150.21 149.43 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD23 ' HD3' ' A' ' 26' ' ' LYS . 5.8 mt -89.27 154.92 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttp85 -141.72 129.63 21.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -91.55 106.76 18.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -79.84 177.6 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -98.83 -14.67 19.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.564 HD12 ' N ' ' A' ' 20' ' ' ILE . 4.0 mp -98.67 -37.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 21' ' ' LEU . 5.7 mp -86.46 -14.58 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt 38.62 48.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -165.24 165.3 19.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CZ3' ' O ' ' A' ' 93' ' ' SER . 94.6 m95 -81.37 119.67 23.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -121.46 134.93 55.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HD3' HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -69.2 135.54 50.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -144.89 171.6 14.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CD1' ' OD2' ' A' ' 30' ' ' ASP . 69.5 t-105 -110.05 120.89 43.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.691 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 34.8 m-85 -106.46 150.01 26.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HB3' ' CD2' ' A' ' 8' ' ' PHE . 57.2 m-20 -152.63 115.31 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.2 tp -86.59 144.25 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -97.82 166.81 11.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 t -70.1 -28.18 65.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.09 2.18 44.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.38 -21.83 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -56.44 134.22 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -117.19 129.72 56.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.08 127.81 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -115.41 151.39 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CE2' HG12 ' A' ' 48' ' ' ILE . 41.9 m-85 -112.98 173.91 6.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 25.4 t70 -66.15 -38.68 88.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 57.1 m-20 -165.08 -178.74 5.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -41.42 -28.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.5 p -42.87 -35.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 9.8 mtm180 48.18 27.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -116.39 -32.49 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.4 m -99.77 77.14 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.499 HG12 ' CE2' ' A' ' 40' ' ' TYR . 66.2 mt -49.21 124.83 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -79.07 -60.48 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 2.5 t70 -155.39 178.83 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -144.74 133.8 22.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 t -152.73 140.56 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.468 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.93 166.77 14.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.816 ' HE1' HD11 ' A' ' 61' ' ' ILE . 27.1 mmm -102.67 -69.85 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.3 Cg_endo -69.81 3.7 2.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.468 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 2.6 t -121.52 -52.87 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.0 m-20 -86.48 -54.86 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.482 ' SG ' HG23 ' A' ' 84' ' ' ILE . 17.6 t -67.55 112.16 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.0 pt -90.62 -31.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -145.59 157.31 43.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.816 HD11 ' HE1' ' A' ' 54' ' ' MET . 59.2 mt -127.76 116.07 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -111.81 140.64 46.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.745 HG22 HD12 ' A' ' 82' ' ' LEU . 18.1 p -129.91 145.25 51.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.48 -129.42 49.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -57.16 -42.87 81.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.76 -47.69 4.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.483 ' HB3' ' NE2' ' A' ' 83' ' ' GLN . 4.3 m -51.51 171.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -54.41 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.28 41.27 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.546 HD13 HE21 ' A' ' 83' ' ' GLN . 2.3 pt -84.61 -174.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' N ' HG13 ' A' ' 70' ' ' ILE . 2.0 pm0 -144.3 142.22 19.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 156.52 63.21 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 168.49 21.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.336 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.25 111.02 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.44 2.8 22.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -138.93 136.07 18.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.67 -19.78 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -28.88 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.6 p -88.1 21.38 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.0 mt -94.22 137.38 33.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.745 HD12 HG22 ' A' ' 63' ' ' THR . 4.3 tp -136.99 121.83 18.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.546 HE21 HD13 ' A' ' 70' ' ' ILE . 10.5 tt0 -120.95 144.08 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.482 HG23 ' SG ' ' A' ' 58' ' ' CYS . 5.3 mm -119.26 101.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 80.8 t -73.12 111.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 88' ' ' ASP . 1.8 m -72.83 -174.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' ASP . 59.8 mtp85 -62.61 74.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' CYS . 0.4 OUTLIER 33.36 53.98 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.15 -37.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -137.05 173.58 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.2 m -160.09 132.58 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.8 mt -108.89 131.23 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.467 ' O ' ' CZ3' ' A' ' 24' ' ' TRP . 7.9 m -105.23 99.01 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.691 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.5 mt -101.56 154.93 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 36.9 t -138.37 115.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.81 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -75.0 163.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.28 -42.79 87.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -147.28 166.79 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.5 m -52.15 -34.63 45.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -46.06 91.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.81 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 5.4 t0 -63.47 -52.35 61.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.5 t -49.95 -53.51 25.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 14.8 mt -53.12 -45.25 68.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.45 -52.95 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.89 ' NE1' HD11 ' A' ' 14' ' ' LEU . 30.9 m95 -60.0 -47.38 86.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 63' ' ' THR . 38.9 tttm -57.17 -47.41 81.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 22.0 m-85 -59.28 -42.14 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 88.7 m -64.95 -51.84 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.628 HD22 ' SD ' ' A' ' 54' ' ' MET . 20.1 mt -57.83 -44.61 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.517 ' O ' HG22 ' A' ' 114' ' ' THR . 12.9 mm-40 -68.68 -19.6 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.32 -25.09 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.2 p -84.18 -27.28 28.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.459 ' HD3' ' NE2' ' A' ' 110' ' ' GLN . 1.2 ptm85 -74.43 -34.68 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 110' ' ' GLN . 10.0 t -104.92 46.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 55.1 p -109.24 130.24 55.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -167.2 -177.26 38.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 98.85 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.6 m -136.81 135.0 37.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -114.58 137.71 51.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.479 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -173.63 127.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -136.77 144.8 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.32 140.75 3.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.7 p -40.64 161.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -106.51 136.25 46.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.06 133.9 11.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -77.99 132.13 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.7 -61.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HE3' ' CE2' ' A' ' 105' ' ' TRP . 35.5 tttp -141.32 143.14 33.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -132.08 134.53 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.803 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -165.68 169.86 40.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.786 ' O ' HD23 ' A' ' 14' ' ' LEU . 52.9 m95 -87.78 131.32 34.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.2 mt -146.21 141.45 27.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 26' ' ' LYS . 6.8 mt -82.56 153.55 25.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' NH1' ' OD1' ' A' ' 27' ' ' ASN . 10.5 ttp-105 -141.35 125.21 17.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -83.04 100.2 10.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -67.28 164.68 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 p -85.31 -42.53 14.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.6 mt -73.42 -47.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 mt -77.28 -29.26 53.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mttp 52.15 41.41 30.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -147.43 155.29 41.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -76.72 108.13 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -111.27 138.9 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HG2' ' CE3' ' A' ' 13' ' ' TRP . 23.9 tttt -67.51 134.07 50.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' OD1' ' NH1' ' A' ' 16' ' ' ARG . 33.8 m120 -141.92 160.96 39.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.426 ' CZ3' ' C ' ' A' ' 12' ' ' GLY . 55.0 t-105 -106.38 113.3 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CZ ' ' CD2' ' A' ' 94' ' ' LEU . 74.5 m-85 -100.93 160.33 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 29' ' ' PHE . 7.7 m-20 -162.84 116.01 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -86.95 143.74 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.626 ' CE2' HD12 ' A' ' 38' ' ' ILE . 11.1 m0 -97.12 163.96 12.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.0 p -66.15 -32.08 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.07 -15.38 59.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.44 -35.37 4.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 53' ' ' HIS . 17.1 m80 -46.84 136.87 7.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.4 tp -116.81 130.07 56.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.626 HD12 ' CE2' ' A' ' 32' ' ' TRP . 28.2 mt -133.91 147.11 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -136.29 156.81 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CD1' ' HG2' ' A' ' 45' ' ' ARG . 80.5 m-85 -119.82 163.78 16.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.81 -30.53 69.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -155.01 -179.4 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -63.17 -23.26 67.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 p -64.08 -20.86 66.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 40' ' ' TYR . 85.7 mtt180 47.43 34.12 3.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -86.96 -23.08 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -129.83 105.91 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.401 HG12 ' CE2' ' A' ' 40' ' ' TYR . 94.8 mt -66.23 105.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.25 -58.24 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.521 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 16.9 t70 -170.72 168.82 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -135.59 132.83 37.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.61 150.6 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -94.43 167.43 11.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.653 ' HE1' HD11 ' A' ' 61' ' ' ILE . 25.4 mmm -103.61 -70.19 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.556 0.694 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 54.3 Cg_endo -69.71 2.51 3.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.479 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 8.9 t -121.05 -49.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 5.3 m-20 -89.71 -55.54 3.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.726 ' SG ' HG23 ' A' ' 84' ' ' ILE . 36.6 t -66.65 117.47 8.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.424 HG12 ' C ' ' A' ' 86' ' ' CYS . 12.4 pt -101.93 -27.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -138.73 159.25 42.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.653 HD11 ' HE1' ' A' ' 54' ' ' MET . 95.9 mt -133.89 115.19 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.428 ' NE ' ' OE1' ' A' ' 83' ' ' GLN . 17.5 mtm180 -103.22 118.64 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.796 ' CG2' HD12 ' A' ' 82' ' ' LEU . 11.9 p -145.02 131.29 19.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.87 95.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 47.39 26.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.409 ' HB2' ' N ' ' A' ' 63' ' ' THR . 18.2 mt-10 -108.23 -38.81 5.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 m -54.14 179.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 69' ' ' ASP . 21.0 ttt85 -163.41 153.96 16.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 1.4 m-20 64.11 25.03 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.443 HD11 HD13 ' A' ' 81' ' ' LEU . 16.2 pt -140.25 179.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -154.68 136.97 9.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 145.95 59.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.372 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -178.71 2.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.45 126.18 31.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 10.46 61.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -135.46 132.07 19.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -102.12 -9.69 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -25.39 40.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.8 p -84.83 11.43 9.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.443 HD13 HD11 ' A' ' 70' ' ' ILE . 9.3 mt -84.47 130.68 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.796 HD12 ' CG2' ' A' ' 63' ' ' THR . 6.1 tp -128.77 118.15 22.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.536 ' O ' HD13 ' A' ' 84' ' ' ILE . 16.2 tt0 -120.95 153.94 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.726 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.5 mm -137.33 108.93 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.9 t -93.83 131.89 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.424 ' C ' HG12 ' A' ' 59' ' ' ILE . 1.3 p -89.9 -177.47 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -59.03 -70.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -43.97 -67.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . 178.82 -26.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 89' ' ' GLY . 15.1 tttp -33.8 142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.414 ' CG2' ' HG2' ' A' ' 83' ' ' GLN . 37.6 m -139.46 131.86 28.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.2 mt -107.51 117.08 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.36 113.59 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -120.99 158.04 28.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.2 t -143.43 132.57 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.695 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -96.61 159.43 14.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.89 -41.0 90.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' THR . 8.3 t -152.26 157.42 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' SER . 3.7 m -36.73 -46.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.35 -50.5 62.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.695 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 1.8 m-20 -57.14 -42.74 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.53 -40.5 93.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.494 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 17.9 mt -60.81 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -43.77 -54.81 4.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.616 ' NE1' HD11 ' A' ' 14' ' ' LEU . 29.8 m95 -59.45 -51.62 69.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -49.81 -60.19 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.494 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 29.8 m-85 -48.76 -48.81 40.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.2 m -55.75 -45.9 77.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 54' ' ' MET . 29.7 mt -65.2 -59.27 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.47 ' OE1' ' CZ ' ' A' ' 113' ' ' ARG . 23.2 mm-40 -49.41 -30.88 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -79.77 -43.6 22.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -56.59 -31.52 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CZ ' ' OE1' ' A' ' 110' ' ' GLN . 71.8 mtm180 -43.2 -44.53 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.2 p -56.5 -54.11 49.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -39.82 100.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.07 -93.89 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.92 2.38 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.737 2.292 . . . . 0.0 112.347 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.7 m -127.07 157.17 40.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 t -136.71 119.38 16.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.44 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 p -50.39 164.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -124.85 133.98 52.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.77 92.01 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -55.01 -45.21 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -164.5 156.58 16.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.43 142.09 17.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -92.83 137.34 32.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.57 -58.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -139.59 132.13 28.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.434 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 88.0 p -126.67 132.45 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.79 165.71 38.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.653 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.2 m95 -82.54 139.54 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.712 HD11 ' NE1' ' A' ' 105' ' ' TRP . 16.6 mt -154.14 149.95 27.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 5.3 mt -90.87 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -126.87 134.47 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -92.01 102.32 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -80.3 174.49 11.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -90.84 -45.82 8.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 mm -64.48 -57.74 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.19 -38.46 75.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp 59.56 41.05 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -148.51 164.37 34.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -80.13 102.65 9.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -104.58 134.76 47.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 5.5 tptp -68.19 132.62 47.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -140.97 173.69 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 56.0 t-105 -114.87 112.81 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 80.2 m-85 -98.26 150.48 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -154.08 112.26 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 tp -85.12 144.11 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.583 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.6 m95 -97.87 167.07 11.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -71.18 -28.19 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -83.92 -2.42 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 -28.06 16.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -53.94 135.76 42.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.3 tp -118.24 129.77 55.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.583 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 43.4 mt -136.08 126.27 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -113.2 162.02 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -128.04 179.85 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 -40.12 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -155.47 -177.81 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -52.78 -32.43 43.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -46.08 -37.48 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 58.85 34.82 23.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -100.88 -28.19 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -110.89 103.06 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.42 97.64 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -48.49 -59.53 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -168.45 -178.46 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HE2' HD11 ' A' ' 38' ' ' ILE . 19.1 ttmt -142.45 136.57 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.508 HG13 ' OD2' ' A' ' 57' ' ' ASP . 23.0 t -152.71 138.41 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.475 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -84.25 167.2 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.638 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.4 mmm -102.34 -70.33 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.638 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.8 Cg_endo -69.78 2.45 3.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 8.0 t -121.91 -47.89 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' OD2' HG13 ' A' ' 52' ' ' VAL . 2.3 t70 -88.45 -50.22 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.519 ' SG ' HG23 ' A' ' 84' ' ' ILE . 48.1 t -76.76 117.38 18.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 pt -93.52 -25.2 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -151.76 165.49 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.46 HD11 ' HE1' ' A' ' 54' ' ' MET . 32.0 mt -133.61 130.84 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.425 ' HD2' ' CG2' ' A' ' 85' ' ' VAL . 11.4 mtp180 -122.71 150.88 42.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.919 HG22 HD12 ' A' ' 82' ' ' LEU . 21.6 p -145.01 147.57 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.16 -124.66 17.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -80.0 -25.05 40.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -51.79 -39.58 58.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.4 m -55.3 177.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HB3' HG23 ' A' ' 70' ' ' ILE . 2.2 tpt180 -53.28 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -82.72 35.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 68' ' ' ARG . 2.7 pt -77.41 -174.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.47 ' N ' HG13 ' A' ' 70' ' ' ILE . 19.1 pt20 -141.08 137.65 17.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HD3' ' NH1' ' A' ' 78' ' ' ARG . 54.1 Cg_endo -69.78 155.32 66.15 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.631 2.221 . . . . 0.0 112.33 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -40.05 128.08 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.1 -30.72 9.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -98.06 143.74 26.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -166.14 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HD3' HD12 ' A' ' 81' ' ' LEU . 13.6 tpp180 -99.68 -42.81 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -58.62 -12.84 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.17 9.97 28.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.481 HD12 ' HD3' ' A' ' 78' ' ' ARG . 13.1 mt -92.55 142.93 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.919 HD12 HG22 ' A' ' 63' ' ' THR . 5.3 tp -137.59 134.66 35.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -133.59 135.81 44.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.519 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.1 mm -112.4 107.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.425 ' CG2' ' HD2' ' A' ' 62' ' ' ARG . 61.6 t -75.46 114.63 15.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.6 m -107.64 153.72 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -58.18 179.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.05 34.58 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 53.07 34.38 46.63 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -108.86 145.59 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.44 ' N ' ' HD2' ' A' ' 90' ' ' LYS . 89.1 m -141.41 154.41 45.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 91' ' ' THR . 60.7 mt -124.92 117.67 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -83.94 123.26 29.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 42.7 mt -131.55 156.06 46.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 47.1 t -141.39 132.02 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.22 153.54 17.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -52.3 -53.98 37.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.0 p -140.13 162.93 34.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -43.71 -46.03 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -54.32 -46.1 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.28 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 48.8 t -57.02 -49.36 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.15 -45.26 79.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -57.0 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.712 ' NE1' HD11 ' A' ' 14' ' ' LEU . 24.5 m95 -55.0 -46.68 75.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HD2' HG21 ' A' ' 63' ' ' THR . 47.2 tttt -56.81 -51.36 69.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -55.53 -43.8 76.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.9 m -66.68 -44.3 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.42 HD11 HD21 ' A' ' 82' ' ' LEU . 19.9 mt -61.3 -49.13 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -48.51 -49.48 35.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 113' ' ' ARG . 4.0 t70 -61.25 -57.69 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.6 m -35.28 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 115' ' ' SER . 75.0 mtp180 -55.64 -56.65 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' ARG . 10.1 t 34.07 33.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' ARG . 32.2 p -105.95 124.38 49.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -145.84 177.49 24.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.29 20.86 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -75.27 151.13 38.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.8 m -99.07 -51.44 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -131.81 104.14 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 t -172.54 125.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.92 -75.45 0.41 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -97.63 133.87 41.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 p -52.69 117.6 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 8' ' ' PHE . . . -74.51 77.81 1.04 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 7' ' ' GLY . 13.0 m-85 -34.48 132.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -49.14 -61.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -141.12 139.43 33.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . 84.8 p -133.84 129.82 37.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.96 175.87 35.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.861 ' O ' HD23 ' A' ' 14' ' ' LEU . 32.9 m95 -91.94 127.95 37.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 13' ' ' TRP . 32.2 mt -144.78 152.19 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.77 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -137.92 116.8 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -84.39 113.7 21.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -96.52 156.9 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -82.22 -20.82 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.57 -44.52 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 mt -85.81 -16.97 37.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 40.01 52.14 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -164.33 159.63 20.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 96.6 m95 -85.1 111.49 19.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -113.91 132.65 55.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -59.39 133.33 56.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -139.93 155.63 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.415 ' CD1' ' OD1' ' A' ' 30' ' ' ASP . 70.1 t-105 -105.17 112.47 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.659 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 87.5 m-85 -101.52 156.03 17.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 4.5 m-20 -157.74 115.61 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 37' ' ' LEU . 9.2 tp -86.27 141.24 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.4 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 12.9 m95 -95.99 168.45 10.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -73.37 -24.44 60.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.38 -2.78 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.53 -36.05 4.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 7.8 m80 -48.67 134.74 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HB2' HD12 ' A' ' 31' ' ' LEU . 21.1 tp -118.4 129.7 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.4 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 60.6 mt -131.99 134.44 59.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.587 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -123.84 150.67 44.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -114.7 170.6 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.2 -37.18 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -147.15 172.01 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.33 -18.11 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -67.95 -20.17 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 52.55 30.7 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -90.21 -35.09 15.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -108.69 96.58 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.59 102.11 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.84 -60.66 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 21.3 t70 -171.8 176.7 3.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -141.07 133.05 27.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.3 t -150.33 140.72 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.469 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -84.16 167.23 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.63 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 28.1 mmm -102.85 -70.16 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.71 2.69 3.28 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 5.1 t -121.85 -48.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.1 m-20 -91.9 -49.96 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.619 ' SG ' HG23 ' A' ' 84' ' ' ILE . 53.7 t -73.02 117.52 14.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.0 pt -99.13 -29.71 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -138.7 165.73 26.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.4 mt -136.35 109.89 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HE ' HG21 ' A' ' 85' ' ' VAL . 58.1 mtt180 -102.2 143.94 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.773 HG22 HD12 ' A' ' 82' ' ' LEU . 7.7 p -140.76 131.35 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -125.37 12.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.589 ' CE1' ' NE ' ' A' ' 78' ' ' ARG . 33.3 m-70 -60.23 -48.84 80.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -41.75 -41.81 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.8 m -49.32 168.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -52.2 -174.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.55 42.25 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 71' ' ' GLN . 2.1 pt -88.47 -174.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.45 ' N ' HG13 ' A' ' 70' ' ' ILE . 32.1 mt-30 -147.92 142.43 16.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 156.31 63.72 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -166.1 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.723 2.282 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.59 138.94 31.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.89 33.96 87.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -147.46 134.87 10.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 65' ' ' HIS . 15.5 ttp180 -104.26 -28.0 11.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.0 -16.32 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.04 10.52 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.7 mt -86.47 141.7 28.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.773 HD12 HG22 ' A' ' 63' ' ' THR . 5.5 tp -139.19 117.81 12.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.457 ' OE1' HG21 ' A' ' 91' ' ' THR . 16.0 tt0 -118.03 147.19 43.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.619 HG23 ' SG ' ' A' ' 58' ' ' CYS . 13.1 mm -126.78 119.12 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.445 HG21 ' HE ' ' A' ' 62' ' ' ARG . 10.3 t -98.34 133.5 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.8 -179.53 5.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -57.09 -73.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -45.19 -70.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . . . -176.38 -28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' GLY . 32.4 tttt -33.78 128.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.457 HG21 ' OE1' ' A' ' 83' ' ' GLN . 89.9 m -124.97 130.53 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.7 mt -104.57 125.86 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 m -97.99 113.29 25.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.659 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.6 mt -118.71 157.4 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.525 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 36.7 t -139.23 133.21 31.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.821 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -93.74 161.8 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.22 -38.17 89.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' ASP . 49.4 m -156.21 154.59 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.0 m -38.68 -45.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.112 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -54.27 -44.04 71.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.821 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 2.1 t70 -63.97 -53.76 45.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 53.1 t -51.18 -54.35 26.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 19.8 mt -48.5 -43.1 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -52.54 64.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.823 ' NE1' HD11 ' A' ' 14' ' ' LEU . 29.8 m95 -59.19 -46.88 87.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HD2' HG21 ' A' ' 63' ' ' THR . 25.6 tttm -55.53 -61.85 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 26.4 m-85 -45.97 -40.35 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 m -64.65 -49.76 69.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 82' ' ' LEU . 11.1 mt -61.98 -44.06 97.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.68 -22.15 56.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -94.99 -38.36 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.8 p -63.47 -19.51 64.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 113' ' ' ARG . 0.5 OUTLIER -85.88 -27.67 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 114' ' ' THR . 10.5 t -112.81 48.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.5 m -110.75 49.1 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.57 -158.19 34.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 2.56 3.43 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.731 2.288 . . . . 0.0 112.362 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' SER . 57.4 p -42.1 137.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' SER . 41.8 m -38.01 138.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.533 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -52.31 -44.44 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -70.96 144.94 50.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.83 120.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -93.78 105.69 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 110.825 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 p -72.67 102.81 3.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.49 155.27 28.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -93.4 137.61 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -53.4 -60.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -139.79 144.87 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 13.0 p -138.2 131.23 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' C ' ' CZ3' ' A' ' 28' ' ' TRP . . . -162.33 166.8 36.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CE3' ' HG2' ' A' ' 26' ' ' LYS . 79.1 m95 -83.66 126.33 32.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.699 HD11 ' NE1' ' A' ' 105' ' ' TRP . 19.0 mt -139.07 144.83 38.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 26' ' ' LYS . 6.5 mt -93.67 122.28 35.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 19.6 ttp-105 -110.77 125.67 53.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -69.99 112.7 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -88.54 132.97 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.415 ' CG2' HD12 ' A' ' 20' ' ' ILE . 10.3 t -72.75 -19.95 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 19' ' ' THR . 4.3 mp -86.66 -41.24 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.133 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt -93.88 -7.08 44.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp 39.18 53.16 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -170.4 148.28 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CZ3' ' HB2' ' A' ' 95' ' ' CYS . 83.3 m95 -66.86 121.9 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -122.43 131.19 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.661 ' HA ' HD23 ' A' ' 15' ' ' LEU . 10.1 ttpt -58.88 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' CB ' HH12 ' A' ' 16' ' ' ARG . 30.8 m120 -141.84 171.59 13.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.424 ' CZ2' ' HB2' ' A' ' 11' ' ' SER . 45.1 t-105 -116.66 114.12 23.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 41.2 m-85 -99.38 148.77 23.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -151.01 115.3 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.811 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 tp -89.01 145.45 25.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.5 m95 -99.43 168.23 10.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -70.26 -32.78 70.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.67 1.94 31.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 -31.59 8.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -46.98 134.49 10.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -118.71 129.83 55.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.531 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 23.7 mt -136.82 127.34 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 50' ' ' ASP . 1.5 p90 -116.37 147.94 41.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.507 ' CG ' ' HA ' ' A' ' 45' ' ' ARG . 72.2 m-85 -110.56 174.85 5.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.486 ' N ' ' HG2' ' A' ' 49' ' ' GLU . 12.1 t70 -73.27 -31.77 64.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 31.2 m-20 -163.0 -174.98 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -55.84 -13.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 p -57.39 -23.64 50.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.507 ' HA ' ' CG ' ' A' ' 40' ' ' TYR . 50.2 mtt180 39.19 36.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -122.11 -32.1 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -95.97 79.2 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -49.71 101.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 18.1 mm-40 -62.33 -49.03 77.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 5.2 t70 -172.86 176.28 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' VAL . 12.4 ttpp -144.95 140.28 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 51' ' ' LYS . 18.5 t -158.56 135.71 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.467 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.7 t-160 -80.64 166.83 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.819 ' HE1' HD11 ' A' ' 61' ' ' ILE . 28.0 mmm -101.68 -70.26 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.9 Cg_endo -69.74 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 4.1 t -122.3 -48.5 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CB ' HG13 ' A' ' 52' ' ' VAL . 3.4 t0 -87.52 -50.15 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.9 149.61 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.0 pt -125.72 -33.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -142.12 147.47 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.819 HD11 ' HE1' ' A' ' 54' ' ' MET . 62.0 mt -118.56 126.95 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.535 ' NH1' HG22 ' A' ' 85' ' ' VAL . 7.8 mtt85 -115.32 153.19 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.563 HG22 HD12 ' A' ' 82' ' ' LEU . 17.6 p -145.38 133.73 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.51 -134.58 26.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -55.87 -41.41 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -46.73 -39.47 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.9 m -54.93 168.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -51.78 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.46 44.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.458 HD13 ' NE2' ' A' ' 83' ' ' GLN . 6.6 pt -88.66 -174.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -146.81 141.14 15.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 148.89 65.74 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.7 153.22 29.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.78 23.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -141.24 129.0 12.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -173.01 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.353 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -109.79 19.67 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -113.25 -15.01 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 32.1 p -95.89 7.64 45.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.59 145.9 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.563 HD12 HG22 ' A' ' 63' ' ' THR . 5.6 tp -139.42 125.65 20.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.458 ' NE2' HD13 ' A' ' 70' ' ' ILE . 10.8 tt0 -123.49 151.37 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 mm -125.84 108.51 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.535 HG22 ' NH1' ' A' ' 62' ' ' ARG . 58.1 t -78.68 112.93 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.5 164.68 21.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -53.72 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.15 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.05 31.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -91.31 102.71 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.436 HG21 ' OE1' ' A' ' 83' ' ' GLN . 25.4 m -94.14 119.24 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.5 mt -105.69 116.85 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.1 m -85.71 120.98 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.615 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 40.9 mt -123.73 157.89 32.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.524 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 4.9 t -137.26 138.98 40.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 101' ' ' ASP . . . -106.62 145.62 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -38.35 -53.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -142.49 179.48 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -55.17 -50.84 68.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.93 -46.83 61.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.543 ' HB3' ' HB1' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -55.86 -53.29 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 47.4 t -53.74 -58.24 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.1 mt -47.61 -43.96 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.81 -49.81 75.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.699 ' NE1' HD11 ' A' ' 14' ' ' LEU . 18.3 m95 -60.56 -52.45 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.41 ' HD2' HG21 ' A' ' 63' ' ' THR . 27.0 tttp -51.1 -57.81 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -52.02 -45.6 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.7 m -57.56 -55.48 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.458 ' HB3' ' CE ' ' A' ' 54' ' ' MET . 20.4 mt -54.62 -49.54 70.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.611 HE21 HD12 ' A' ' 61' ' ' ILE . 27.4 mm-40 -50.92 -32.29 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -81.37 -49.47 10.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.0 p -49.46 -28.68 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 113' ' ' ARG . 15.3 mtp-105 -46.82 -29.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.0 p -81.36 47.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.4 m -124.34 140.28 53.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.05 135.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 90.9 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.4 m -146.61 125.08 12.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 62.4 p -59.48 135.86 57.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -45.46 111.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m 50.37 42.05 25.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.79 -173.15 31.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -58.29 100.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 48.31 42.35 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.68 143.58 1.32 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -90.45 130.52 36.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.1 t -47.66 -60.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -141.02 146.78 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.1 p -139.11 132.0 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.806 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.42 171.14 39.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.591 ' O ' HD23 ' A' ' 14' ' ' LEU . 60.0 m95 -87.28 127.35 35.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 ' NE1' ' A' ' 105' ' ' TRP . 23.1 mt -143.91 148.02 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 26' ' ' LYS . 5.0 mt -91.03 146.39 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -134.66 136.03 42.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -87.42 111.43 21.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.3 t -86.1 153.77 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -76.96 -32.76 57.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -78.88 -58.92 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.24 -26.37 64.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mttp 49.89 49.89 19.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -164.39 154.74 14.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 81.8 m95 -73.92 116.42 14.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -123.12 125.05 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.9 134.3 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.79 155.68 44.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -104.82 111.85 24.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.548 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 77.3 m-85 -99.18 152.03 20.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -153.95 112.19 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 tp -84.84 140.17 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.47 ' CZ2' HD12 ' A' ' 38' ' ' ILE . 11.7 m95 -94.15 169.66 10.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -71.91 -29.79 64.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -5.36 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.23 -30.47 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -52.1 136.39 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.1 tp -117.85 130.49 56.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.47 HD12 ' CZ2' ' A' ' 32' ' ' TRP . 47.8 mt -135.53 129.82 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 50' ' ' ASP . 0.4 OUTLIER -116.7 152.81 33.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.98 176.14 5.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -77.36 -41.1 41.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.2 p30 -144.9 -177.21 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -65.97 -14.92 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -71.55 -15.99 62.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 46.06 41.48 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -102.31 -19.18 15.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -125.52 98.54 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -67.6 103.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -51.69 -56.79 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 14.6 t70 -173.17 174.71 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.61 135.49 40.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.3 t -150.43 143.36 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.48 ' ND1' ' HB ' ' A' ' 56' ' ' VAL . 2.6 t-160 -86.29 167.53 14.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.64 ' CB ' ' CD ' ' A' ' 55' ' ' PRO . 27.5 mmm -106.39 -70.21 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.552 0.691 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 54' ' ' MET . 53.6 Cg_endo -69.83 3.46 2.79 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' HB ' ' ND1' ' A' ' 53' ' ' HIS . 41.6 t -120.57 -49.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' HIS . 2.7 m-20 -90.94 -47.02 7.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.636 ' SG ' HG23 ' A' ' 84' ' ' ILE . 34.4 t -78.55 119.9 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.6 pt -100.85 -31.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -143.45 171.41 14.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -137.19 106.27 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 mtt85 -93.05 119.61 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.757 ' CG2' HD12 ' A' ' 82' ' ' LEU . 40.2 p -136.52 138.67 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.96 -115.21 4.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.57 35.29 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -105.59 -44.43 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' CB ' ' NE2' ' A' ' 83' ' ' GLN . 5.0 p -80.0 102.71 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.19 -6.44 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -97.12 3.96 51.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.479 HD13 HE21 ' A' ' 83' ' ' GLN . 1.9 pt -128.06 169.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.066 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -132.78 137.67 30.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 145.59 57.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.484 ' CG ' ' SG ' ' A' ' 95' ' ' CYS . 53.4 Cg_endo -69.79 132.21 22.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -45.58 119.4 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.92 38.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -133.3 143.61 48.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -174.58 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -104.57 5.37 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -97.94 -9.92 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 p -99.23 2.82 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 81' ' ' LEU . 20.6 mt -73.19 130.94 41.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.757 HD12 ' CG2' ' A' ' 63' ' ' THR . 5.3 tp -131.02 117.98 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.587 ' OE1' HG21 ' A' ' 91' ' ' THR . 8.9 tt0 -118.89 131.38 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.636 HG23 ' SG ' ' A' ' 58' ' ' CYS . 24.5 mm -103.18 90.55 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.74 109.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' ARG . 12.1 m -92.03 170.56 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' ASP . 29.6 mtm180 -35.88 136.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' ARG . 2.4 t0 -34.39 100.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.4 22.25 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -174.4 143.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.587 HG21 ' OE1' ' A' ' 83' ' ' GLN . 56.1 m -157.98 132.77 8.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.9 mt -104.38 138.72 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.13 120.44 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.526 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 33.9 mt -125.5 155.15 41.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.484 ' SG ' ' CG ' ' A' ' 73' ' ' PRO . 50.0 t -140.09 113.42 8.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 102' ' ' CYS . . . -78.16 153.4 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -54.38 -59.21 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.1 m -129.81 155.56 45.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.3 m -39.97 -49.87 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -52.79 -46.23 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -58.35 -44.15 88.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 96' ' ' ALA . 42.6 t -62.65 -55.16 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 107' ' ' PHE . 12.0 mt -51.13 -38.92 54.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.63 -50.97 71.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.738 ' NE1' HD11 ' A' ' 14' ' ' LEU . 40.4 m95 -64.19 -54.24 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -42.81 -51.33 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 103' ' ' LEU . 28.4 m-85 -53.13 -54.41 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 59.4 m -54.84 -51.31 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.519 HD11 HD21 ' A' ' 82' ' ' LEU . 18.5 mt -54.87 -44.17 73.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -59.98 -41.82 92.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -79.85 -19.84 47.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.3 p -78.76 -31.68 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 -80.18 -32.49 38.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.79 -25.22 40.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 t -85.4 104.48 15.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.89 -86.84 1.93 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -14.46 36.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 t -69.74 111.56 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.3 t -54.99 -55.15 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 stop_ save_