data_1x62_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 1x62 _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 ' 16' ' ' PRO . . . . . 0.457 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.118 0 CA-C-O 120.765 0.235 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 ptm -59.44 130.54 47.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.424 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 42.1 t -54.48 158.7 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -98.15 -41.92 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -54.32 -59.31 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.24 -56.92 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.12 56.54 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -141.29 142.16 33.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.55 119.74 6.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 16' ' ' PRO . 74.3 mt -80.2 153.58 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 p -147.72 130.55 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.29 -137.57 16.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.7 p -67.4 139.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -164.97 170.74 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.5 t -108.17 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.577 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.28 123.8 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' ARG . 57.6 mt -92.56 166.35 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 9.1 ttt180 -31.97 -72.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.02 -1.99 11.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 26.8 mmm180 -117.05 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.577 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 44.9 m80 -137.14 147.43 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -147.09 167.42 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.442 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 15.4 m80 -78.52 161.88 68.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.732 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.7 Cg_endo -69.77 -10.59 28.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -112.16 -26.25 8.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' VAL . 71.0 m -78.68 -28.63 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -43.55 -22.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' CYS . 14.1 m -54.56 159.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.47 154.81 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -88.03 -33.99 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.18 -65.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -93.83 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.25 51.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.7 t -100.77 146.31 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.102 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -61.91 104.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -84.38 12.88 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -50.16 -56.95 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -93.66 -48.36 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -50.73 -51.89 45.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.05 165.4 19.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 1.5 p-80 -120.14 152.72 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -115.95 164.94 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' C ' HG22 ' A' ' 59' ' ' VAL . 13.5 m-85 -110.47 110.36 21.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.408 HG22 ' C ' ' A' ' 58' ' ' PHE . 96.8 t -141.26 114.62 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 58.26 41.56 23.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 62.07 32.02 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -132.97 176.59 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.2 pt -126.63 135.94 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.41 170.38 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' HIS . 25.1 p -85.47 138.53 32.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.8 tt0 -33.41 -36.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' CYS . 39.4 tttp -61.73 -49.78 75.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.5 m80 -81.99 -49.74 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.57 -57.36 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 2.2 ptm85 -48.78 -42.63 36.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 6.9 mm-40 -63.43 -37.22 86.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -74.46 -58.05 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.773 0.239 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -61.24 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -52.01 156.89 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.98 -39.06 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -82.23 -53.92 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.65 65.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.5 p -144.62 145.99 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.15 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 112.84 2.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.465 HG12 ' CE1' ' A' ' 38' ' ' HIS . 62.3 mt -74.4 153.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.5 p -151.1 126.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.55 -135.9 14.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 29' ' ' PHE . 7.6 p -62.51 140.44 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' N ' HG21 ' A' ' 28' ' ' VAL . 6.9 p90 -167.63 161.92 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.3 t -92.37 102.04 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -77.05 104.99 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 33' ' ' ARG . 78.8 mt -82.69 165.02 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' LEU . 61.2 mtt180 -32.1 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -118.01 12.33 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -128.8 174.79 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.6 m80 -140.84 143.83 35.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.456 ' CZ ' HD12 ' A' ' 63' ' ' ILE . 10.8 mtt85 -149.76 166.86 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.467 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 26.8 m80 -79.05 162.04 66.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.85 -9.8 26.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.43 -28.03 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 43' ' ' VAL . 67.5 m -79.72 -2.24 42.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.509 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 12.6 t80 -69.85 6.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' A' ' 41' ' ' CYS . 29.4 m -72.65 160.84 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.5 t -53.82 162.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.7 m -97.57 -35.29 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 16.7 t0 -66.58 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -95.6 -56.95 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.09 51.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.4 145.31 31.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -55.22 107.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 28.1 mt -90.58 14.38 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -50.35 -49.77 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' LYS . 37.0 mt-30 -97.54 -60.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLN . 28.3 mtpt -35.74 -66.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.88 168.08 12.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 4.0 p-80 -130.48 154.01 48.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -124.53 166.07 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -109.5 110.83 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.4 t -140.04 115.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 58.26 41.89 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 61.49 32.47 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -132.98 177.07 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.456 HD12 ' CZ ' ' A' ' 37' ' ' ARG . 17.9 pt -123.89 139.57 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -149.3 170.11 19.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 6.2 p -83.57 146.84 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -38.33 -48.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -60.97 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 71' ' ' GLU . 15.9 m170 -63.54 -62.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.31 -45.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -61.66 -46.55 89.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 68' ' ' HIS . 4.0 pt-20 -71.46 -29.21 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -69.21 -47.09 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.79 0.246 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 mtp -62.33 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.52 157.89 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -102.57 -33.77 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 5.5 tmtm? -67.46 -63.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.03 -51.52 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.404 ' C ' HG23 ' A' ' 23' ' ' THR . . . 104.52 70.44 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 22' ' ' GLY . 73.0 p -155.17 133.55 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.49 123.76 4.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.417 HG12 ' CE1' ' A' ' 38' ' ' HIS . 58.3 mt -85.15 151.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -147.78 126.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.72 -135.83 13.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.14 136.13 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -163.11 160.62 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.14 102.04 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.26 111.5 10.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' ARG . 92.9 mt -81.93 165.2 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 10.4 ttt180 -32.05 -72.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.0 8.74 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.7 mmm180 -129.0 174.81 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 46.2 m80 -136.82 139.93 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.539 ' NH1' ' CD1' ' A' ' 63' ' ' ILE . 24.4 mtt180 -140.5 164.11 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 37.2 m80 -74.15 160.16 82.22 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.74 -9.09 25.26 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.71 -22.31 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' VAL . 85.0 m -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -45.26 -19.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' C ' ' A' ' 41' ' ' CYS . 19.4 m -52.05 159.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.31 161.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.414 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 41.9 m -94.04 -37.05 11.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 14.1 t0 -64.69 -65.51 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -93.19 -59.52 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.77 52.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.5 t -106.29 151.02 25.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -61.62 116.18 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.7 mt -98.67 1.51 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -42.48 -52.71 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 54' ' ' LYS . 10.3 mm100 -92.81 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' GLN . 40.4 mttp -36.07 -62.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.57 162.66 11.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -126.59 152.63 46.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -114.7 170.75 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.447 ' C ' HG23 ' A' ' 59' ' ' VAL . 5.4 m-85 -113.1 110.55 20.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.447 HG23 ' C ' ' A' ' 58' ' ' PHE . 39.2 t -140.4 120.39 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 53.05 42.76 32.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 t0 61.25 31.97 19.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.96 177.64 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.539 ' CD1' ' NH1' ' A' ' 37' ' ' ARG . 9.9 pt -124.97 139.97 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.414 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 68.3 m-85 -150.06 162.27 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.7 p -77.64 142.09 39.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.0 tt0 -34.97 -44.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -55.67 -62.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ALA . 5.2 m170 -63.21 -54.43 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.22 -64.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -45.68 -43.85 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.13 -28.8 69.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -80.59 -55.99 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.774 0.239 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -60.5 130.29 45.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 41.8 t -52.02 156.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -96.86 -44.49 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -55.96 -64.39 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.0 p -83.34 -57.82 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.34 65.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 p -150.42 139.99 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.5 119.11 6.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.492 HG21 ' N ' ' A' ' 26' ' ' VAL . 78.5 mt -76.72 142.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.492 ' N ' HG21 ' A' ' 25' ' ' ILE . 7.7 p -137.02 119.43 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.06 -130.72 10.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.03 142.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.468 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 32.3 p90 -168.39 168.04 11.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.84 104.96 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 6.8 tmtt? -76.99 112.43 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' ARG . 89.7 mt -81.83 166.78 19.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.01 -72.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -117.99 -1.24 11.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 17.9 mmt-85 -117.77 175.79 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.58 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 43.9 m80 -139.65 139.91 36.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -141.4 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 21.0 m80 -82.33 163.15 53.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.2 Cg_endo -69.78 -11.3 30.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -111.96 -26.87 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -85.44 -3.21 58.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 13.6 t80 -74.86 8.77 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.8 161.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -52.32 152.49 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -86.92 -34.85 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -92.62 -63.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.08 52.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -104.27 160.91 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 111.105 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.42 121.88 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -107.4 10.01 29.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -46.55 -51.05 16.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -97.98 -56.53 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -43.88 -48.6 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 157.56 26.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.57 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 2.4 p-80 -114.28 159.09 20.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -119.02 161.18 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' C ' HG22 ' A' ' 59' ' ' VAL . 4.6 m-85 -103.14 114.41 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.425 HG22 ' C ' ' A' ' 58' ' ' PHE . 97.2 t -142.86 115.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 55.95 42.36 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 61.73 31.96 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -133.58 177.62 7.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.57 ' CG2' ' CD2' ' A' ' 56' ' ' HIS . 8.1 pt -127.15 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -149.49 173.63 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . 10.9 p -91.38 140.02 30.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 25.6 tt0 -33.97 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -56.36 -48.53 76.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 8.5 m170 -85.16 -49.35 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.24 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 10.0 ptm180 -61.12 -35.76 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 38.2 mt-10 -75.19 -31.47 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -72.42 -57.64 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.787 0.245 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ptp -56.51 139.03 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 49.1 t -62.27 134.29 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.96 -37.33 64.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 16.7 tptp -56.01 -65.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -68.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.42 61.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -149.38 133.43 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.02 125.37 2.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 16' ' ' PRO . 85.1 mt -84.85 142.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.501 ' N ' HG21 ' A' ' 25' ' ' ILE . 11.1 p -131.3 122.74 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.07 -143.87 18.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.67 145.0 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -166.5 169.82 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG11 ' CD2' ' A' ' 32' ' ' LEU . 77.4 t -98.99 102.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -78.19 104.21 8.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' CD2' HG11 ' A' ' 30' ' ' VAL . 4.2 mm? -82.23 162.67 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.6 mtt85 -32.61 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.07 11.99 13.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -128.72 174.67 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.574 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 78.0 m80 -143.2 135.78 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 46.7 mtt180 -141.64 169.71 17.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 12.4 m80 -77.02 162.16 70.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.8 Cg_endo -69.79 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.35 -28.19 6.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.2 m -82.03 -0.93 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 19.8 t80 -74.56 8.7 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 41' ' ' CYS . 33.4 m -82.67 156.2 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.95 156.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.487 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.4 m -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' CG ' ' NE2' ' A' ' 68' ' ' HIS . 7.1 t70 -67.12 -66.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.52 -60.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.89 49.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -103.05 152.93 20.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -69.91 111.01 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.9 mt -88.4 15.54 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -46.0 -52.71 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.71 -37.66 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -49.4 -47.83 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.51 151.56 9.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.458 ' CE1' ' CD1' ' A' ' 32' ' ' LEU . 7.8 p-80 -121.67 166.24 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.44 149.21 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' C ' HG22 ' A' ' 59' ' ' VAL . 8.1 m-85 -95.18 111.66 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.487 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 84.1 t -141.53 108.81 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 64.24 39.98 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.94 31.98 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -133.74 176.3 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.461 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 10.6 pt -122.05 140.43 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CE1' ' HB ' ' A' ' 59' ' ' VAL . 29.8 m-85 -145.92 176.1 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' GLU . 15.9 p -98.34 141.46 31.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.2 tt0 -33.22 -45.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -51.3 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.501 ' NE2' ' CG ' ' A' ' 46' ' ' ASP . 8.5 m80 -70.27 -55.41 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.53 -60.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -47.9 -45.76 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.53 -38.79 88.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -68.44 -56.87 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.75 0.229 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -68.86 130.72 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.1 t -56.74 164.04 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.26 -43.25 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -66.08 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -75.92 -46.81 28.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.2 55.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -136.8 136.67 39.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.95 108.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 29' ' ' PHE . 26.3 mt -67.37 137.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 25' ' ' ILE . 7.8 p -130.96 117.29 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.73 -131.91 10.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.93 146.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.486 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 35.9 p90 -168.11 161.95 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -99.03 102.04 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.04 110.48 11.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 33' ' ' ARG . 52.4 mt -82.51 167.26 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 60.0 mtt180 -31.99 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -118.01 3.91 12.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.4 mmm180 -121.25 173.87 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.569 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 74.6 m80 -134.65 151.72 51.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.568 ' NH2' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -156.34 169.79 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.505 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.3 m80 -85.08 163.92 43.65 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.555 0.693 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.7 -6.46 18.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -118.03 -30.59 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.461 ' C ' ' H ' ' A' ' 43' ' ' VAL . 62.5 m -77.11 -2.07 32.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 8.7 t80 -74.52 14.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.461 ' H ' ' C ' ' A' ' 41' ' ' CYS . 33.5 m -78.37 154.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.4 t -52.1 161.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -90.52 -38.98 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 7.7 t70 -65.12 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -90.17 -60.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.51 57.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -113.69 151.23 32.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -57.15 108.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 28.1 mt -89.64 16.49 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 53' ' ' GLN . 4.6 tmmm? -58.9 -58.91 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.462 ' N ' ' HD2' ' A' ' 52' ' ' LYS . 52.4 mt-30 -79.52 -64.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -45.04 -59.02 2.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.41 171.14 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -128.76 156.4 43.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -121.15 167.39 12.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 12.1 m-85 -112.83 110.84 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 63.1 t -140.31 120.08 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 55.98 43.81 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t0 59.37 32.01 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -132.78 176.07 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.568 ' CD1' ' NH2' ' A' ' 37' ' ' ARG . 6.6 pt -124.16 140.04 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -148.98 161.41 41.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.455 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 9.0 p -75.77 141.84 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 23.2 tt0 -34.33 -45.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.37 -61.91 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 9.0 m170 -61.14 -55.84 27.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.29 -62.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -45.53 -50.88 12.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -52.93 -42.36 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -63.18 -57.35 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.755 0.231 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 24' ' ' GLY . 1.8 mmt -59.52 141.02 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 t -72.78 135.34 45.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.9 -32.62 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 11.6 tptm -68.18 -63.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.99 -69.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.55 47.28 0.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.7 p -135.13 132.08 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' N ' ' SD ' ' A' ' 17' ' ' MET . . . -40.58 126.59 2.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 38' ' ' HIS . 44.0 mt -87.54 154.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.18 130.93 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 79.08 -142.97 25.82 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.551 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.07 139.6 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 27' ' ' GLY . 3.0 p90 -167.06 170.36 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG13 ' CD2' ' A' ' 32' ' ' LEU . 66.2 t -102.29 101.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.588 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -83.31 106.94 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' ARG . 3.7 mm? -84.39 162.03 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.4 ttt-85 -32.26 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.05 12.49 13.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -128.55 172.95 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.588 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.7 m80 -143.72 136.38 27.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.422 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 50.2 mtt180 -146.81 156.97 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.6 m80 -66.27 163.05 42.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.3 Cg_endo -69.8 -9.97 27.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 5.5 pt-20 -110.39 -31.4 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 61.2 m -75.9 -23.48 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 13.5 t80 -43.51 -21.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.3 m -52.49 157.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.03 151.61 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.438 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 88.5 m -88.25 -33.5 18.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.421 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 15.2 t0 -67.85 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -95.94 -63.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.37 46.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.7 t -101.55 142.07 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.97 109.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 28.7 mt -88.69 16.23 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.44 -47.33 84.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -98.58 -41.63 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -62.91 -56.18 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.19 159.85 10.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 9.7 p-80 -124.39 160.97 26.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.36 151.83 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.428 ' C ' HG23 ' A' ' 59' ' ' VAL . 29.5 m-85 -95.73 110.17 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' C ' ' A' ' 58' ' ' PHE . 60.9 t -140.87 115.25 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 58.26 40.96 24.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t70 62.66 32.03 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -133.41 173.6 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 8.3 pt -120.66 140.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 60.6 m-85 -151.11 169.15 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.9 p -85.75 147.93 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -40.14 -43.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -55.6 -66.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.421 ' ND1' ' HB3' ' A' ' 46' ' ' ASP . 17.2 m170 -62.22 -56.55 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.34 -55.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -52.73 -45.64 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' HIS . 41.7 mt-10 -60.44 -35.52 76.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -63.32 -53.94 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.771 0.238 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.56 120.78 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 40.8 t -53.62 133.13 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.99 -37.81 84.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 15.8 tptp -58.68 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -69.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.28 50.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -135.89 139.5 43.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 111.16 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.73 113.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.536 HG22 ' CD2' ' A' ' 29' ' ' PHE . 85.4 mt -74.81 102.15 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 p -99.59 117.61 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.73 -150.17 17.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -64.51 148.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.536 ' CD2' HG22 ' A' ' 25' ' ' ILE . 22.4 p90 -168.62 173.4 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 t -103.95 104.64 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.578 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -76.63 110.18 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' ARG . 90.6 mt -82.35 163.39 21.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.44 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.03 11.51 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 19.8 mmt85 -128.89 174.2 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.578 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 70.3 m80 -140.36 138.88 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.452 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 15.7 mtt180 -145.99 159.93 42.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 20.1 m80 -64.16 160.9 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.74 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -116.89 -27.25 6.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 76.8 m -80.45 -7.91 59.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 17.2 t80 -70.92 1.39 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.4 m -72.11 168.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.05 155.65 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.548 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 60.1 m -88.99 -34.77 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -66.8 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -94.26 -62.44 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.79 54.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -107.59 157.26 18.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.186 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.94 111.0 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.33 11.91 22.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.94 -55.21 35.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -93.8 -57.0 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -43.22 -44.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.47 155.0 17.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.406 ' CE1' HD22 ' A' ' 32' ' ' LEU . 7.6 p-80 -119.27 159.5 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -128.31 166.25 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.43 112.12 23.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -140.61 119.91 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 54.33 39.64 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t0 64.14 32.07 12.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -132.34 174.24 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.452 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 12.1 pt -123.6 137.21 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 62.0 m-85 -145.49 172.68 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' GLU . 24.8 p -85.17 144.81 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.3 tt0 -37.4 -42.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.67 -66.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' ALA . 17.5 m170 -59.59 -54.91 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.2 -59.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -49.9 -49.77 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -54.97 -41.23 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' VAL . 54.0 mtt85 -68.2 -52.07 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' ARG . 98.4 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.118 0 CA-C-O 120.755 0.231 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.8 ptp -55.94 137.1 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.432 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 10.1 t -60.61 145.03 50.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -82.39 -40.19 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.485 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 9.8 tptm -52.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.02 -65.23 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 122.65 53.7 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.0 p -139.38 143.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.39 123.51 15.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 26' ' ' VAL . 86.6 mt -79.79 143.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.474 ' N ' HG23 ' A' ' 25' ' ' ILE . 74.2 t -138.7 117.55 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 -137.63 13.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.31 144.11 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -166.67 170.88 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -103.72 103.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -74.77 125.45 28.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 10.8 mp -105.0 165.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' LEU . 15.1 ttt85 -32.01 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.01 -2.42 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 32.6 mmt180 -118.95 178.96 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 7.9 m80 -148.35 138.18 22.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.475 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 31.6 mtt180 -136.08 157.06 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.8 m80 -63.05 163.07 18.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 54.0 Cg_endo -69.77 -20.24 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -101.71 -30.13 11.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 56.5 m -82.84 0.51 43.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 29.5 t80 -76.02 13.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 41' ' ' CYS . 34.0 m -85.83 157.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.31 153.75 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.503 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 91.5 m -88.87 -34.28 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 32.8 t0 -68.54 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.7 -64.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.93 43.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -98.2 149.09 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -66.83 108.06 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.4 mt -83.85 11.55 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -42.81 -56.23 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 54' ' ' LYS . 31.6 mt-30 -94.66 -61.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.2 mttm -36.12 -47.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.5 160.07 17.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 36.2 p-80 -116.08 142.25 47.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.27 141.32 44.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.41 ' C ' HG22 ' A' ' 59' ' ' VAL . 31.2 m-85 -90.24 111.92 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.41 HG22 ' C ' ' A' ' 58' ' ' PHE . 93.4 t -141.87 109.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 62.52 41.17 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 63.43 31.98 14.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -134.03 176.79 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 5.1 pt -127.61 134.97 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.503 ' CE2' ' HB ' ' A' ' 45' ' ' THR . 38.2 m-85 -144.33 174.63 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 68' ' ' HIS . 27.0 p -92.22 137.31 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 27.2 tt0 -33.17 -40.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -57.67 -49.68 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' CYS . 9.5 m170 -83.97 -52.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.76 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.1 ptm180 -52.77 -40.49 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.8 mt-10 -64.13 -39.21 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -65.69 -56.07 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.759 0.233 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.4 mtt -59.26 128.46 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.14 160.59 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.21 -54.76 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -50.51 -62.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -87.63 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 50.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -130.01 131.36 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.148 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.27 107.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 29' ' ' PHE . 41.3 mt -65.35 147.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.9 p -141.5 127.19 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.94 -134.55 13.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.55 139.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.468 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 10.0 p90 -167.01 159.17 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.5 t -90.12 102.78 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.578 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -76.18 107.52 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 33' ' ' ARG . 29.4 mt -81.92 165.7 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' LEU . 27.0 ttt180 -32.02 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -118.02 10.77 13.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.3 mmt180 -129.16 174.36 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.578 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.0 m80 -134.32 151.37 51.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' NH2' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -155.13 171.09 20.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.486 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 29.4 m80 -86.09 162.44 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.5 Cg_endo -69.77 -10.02 27.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -116.16 -24.5 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.491 ' C ' ' H ' ' A' ' 43' ' ' VAL . 74.9 m -84.04 1.46 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 7.8 t80 -74.12 17.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 41' ' ' CYS . 35.8 m -82.87 158.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.1 t -52.44 162.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.1 m -94.74 -36.47 11.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 23.3 t0 -67.15 -67.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.59 -56.45 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.98 49.04 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.7 t -108.86 152.14 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.347 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.67 121.05 11.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 23.0 mt -98.47 17.1 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -54.26 -58.54 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.82 -56.54 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -51.53 -52.12 49.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.22 161.5 24.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -116.23 154.9 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.58 162.42 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.436 ' C ' HG21 ' A' ' 59' ' ' VAL . 11.6 m-85 -105.09 110.74 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.436 HG21 ' C ' ' A' ' 58' ' ' PHE . 71.4 t -141.19 118.44 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 55.41 42.59 29.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.3 t0 60.78 31.99 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -132.37 173.98 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.473 ' CD1' ' NH2' ' A' ' 37' ' ' ARG . 4.7 pt -122.99 139.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -151.27 162.06 41.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 15.8 p -79.18 143.84 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' CYS . 40.5 tt0 -36.21 -44.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -54.49 -57.56 10.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 12.5 m170 -67.96 -54.62 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -37.39 -62.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -44.69 -46.11 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.74 -36.34 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -66.93 -52.42 43.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.501 ' O ' ' CG1' ' A' ' 25' ' ' ILE . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.103 0 CA-C-O 120.804 0.252 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 ptp -54.14 139.11 36.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 12.6 t -52.07 161.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -102.24 -35.35 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 29.4 tttm -68.72 -49.72 56.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.75 -51.1 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.11 63.02 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLY . 6.1 p -149.17 135.52 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -36.67 111.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 16' ' ' PRO . 92.2 mt -69.54 106.5 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.06 114.87 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.29 -139.3 14.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.437 ' HB ' ' HG3' ' A' ' 39' ' ' PRO . 15.8 t -55.56 147.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 20.4 p90 -168.74 151.75 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -102.26 102.04 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.521 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -64.42 102.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' ARG . 32.5 mt -83.74 166.99 17.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.5 ttt180 -32.01 -76.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -117.97 8.68 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.8 mmm180 -129.59 176.98 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 12.2 m80 -146.39 120.59 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 20' ' ' LYS . 16.5 mtt180 -122.87 165.12 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 20.7 m80 -69.72 159.32 84.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.437 ' HG3' ' HB ' ' A' ' 28' ' ' VAL . 54.4 Cg_endo -69.7 -5.37 16.02 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.9 -25.73 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.7 m -85.74 -0.68 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 15.1 t80 -75.11 8.77 2.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.6 m -74.98 156.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 44.7 t -52.1 161.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 92.4 m -92.65 -37.01 12.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 13.8 t0 -67.13 -68.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 p -87.33 -58.74 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.03 54.77 0.48 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.62 149.45 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -59.8 111.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.0 mt -88.28 10.76 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -50.83 -57.02 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -92.29 -50.34 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -50.73 -49.11 58.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.39 165.0 19.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -132.37 159.28 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 31.0 m-85 -123.92 167.43 14.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.416 ' C ' HG21 ' A' ' 59' ' ' VAL . 15.1 m-85 -109.12 110.93 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.416 HG21 ' C ' ' A' ' 58' ' ' PHE . 74.0 t -140.8 116.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 57.6 41.12 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.17 32.0 17.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.39 177.64 7.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.418 HD11 ' NH1' ' A' ' 37' ' ' ARG . 24.3 pt -125.8 141.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 55.7 m-85 -148.64 166.41 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.1 p -80.54 143.89 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.55 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 42.1 tt0 -35.48 -45.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -54.2 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 11.1 m80 -60.99 -55.06 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.64 -51.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -56.45 -48.48 76.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' HIS . 34.8 mt-10 -57.09 -40.38 76.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.46 -49.06 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.239 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.03 128.28 23.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.84 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.08 -29.69 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 25.5 tptt -69.41 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 -67.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.96 53.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 p -138.24 138.97 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.69 110.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.567 HG21 ' CD2' ' A' ' 29' ' ' PHE . 96.6 mt -68.51 102.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 p -104.65 108.41 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.95 -158.77 14.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 29' ' ' PHE . 3.7 p -55.06 138.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD2' HG21 ' A' ' 25' ' ' ILE . 6.8 p90 -158.61 166.11 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.23 103.75 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.584 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.9 tmtm? -76.03 113.02 13.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 56' ' ' HIS . 91.6 mt -81.86 165.29 20.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' LEU . 43.3 mtt180 -32.0 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.99 5.01 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 28.5 mmm-85 -122.76 174.47 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 76.1 m80 -133.72 144.72 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 37' ' ' ARG . 10.6 mtt-85 -149.75 159.72 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.464 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 10.2 m80 -68.45 163.77 50.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.5 Cg_endo -69.83 -13.56 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -113.38 -25.41 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 73.3 m -79.42 -5.77 55.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 17.3 t80 -73.73 9.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.424 ' H ' ' C ' ' A' ' 41' ' ' CYS . 32.7 m -80.81 157.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.161 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.77 153.95 4.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.509 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 26.6 m -86.97 -33.91 19.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 3.7 t70 -67.76 -66.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.68 -62.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.88 54.0 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.3 t -107.66 148.63 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -58.6 109.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 mt -88.11 14.81 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.48 -54.28 45.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.63 -49.4 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -48.63 -56.55 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.64 155.44 9.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.559 ' CE1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -114.31 153.9 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -122.47 166.19 15.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.436 ' C ' HG23 ' A' ' 59' ' ' VAL . 21.5 m-85 -113.37 110.72 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.436 HG23 ' C ' ' A' ' 58' ' ' PHE . 71.5 t -141.43 121.86 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 52.44 41.3 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 62.22 32.06 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -132.31 175.15 9.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.4 pt -122.71 138.9 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.575 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 52.4 m-85 -148.94 172.64 14.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' GLU . 22.5 p -88.88 144.15 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.6 tt0 -35.48 -43.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -54.34 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.8 m170 -67.81 -56.03 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.2 -59.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -48.07 -45.23 32.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.51 -34.4 77.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.575 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 13.7 mtp85 -69.21 -55.21 11.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.806 0.252 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.71 144.07 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.7 t -86.82 121.48 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.89 -33.17 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' CE ' ' O ' ' A' ' 41' ' ' CYS . 6.3 tppt? -65.62 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -88.21 -65.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.53 41.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.8 p -128.06 131.23 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.72 111.65 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.434 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 29' ' ' PHE . 11.5 mt -68.09 150.89 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -133.7 123.44 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.89 -144.11 23.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.55 136.78 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 3.6 p90 -167.81 163.04 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.29 101.99 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HE3' ' CE1' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -83.03 103.8 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.535 HD22 ' CZ ' ' A' ' 37' ' ' ARG . 1.8 mm? -82.36 162.55 22.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 41.6 mtt180 -33.3 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.99 11.98 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 18.9 mmt180 -128.77 174.48 9.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.482 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . 75.9 m80 -138.53 152.7 48.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.535 ' CZ ' HD22 ' A' ' 32' ' ' LEU . 16.0 mtm-85 -157.09 174.89 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.446 ' CE1' HG12 ' A' ' 25' ' ' ILE . 18.6 m80 -94.08 160.14 32.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 5.8 pt-20 -116.88 -32.93 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 55.2 m -76.26 -23.83 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -43.77 -21.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.3 m -53.48 149.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.6 t -52.02 157.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.487 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 96.5 m -92.89 -33.48 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.3 m-20 -68.67 -61.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.37 -59.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.71 53.75 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.4 t -113.93 148.19 37.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.42 113.67 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.1 mt -94.3 14.24 20.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -41.26 -59.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 54' ' ' LYS . 14.6 mm100 -97.42 -55.72 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.3 mttm -32.84 -66.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.79 166.24 11.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -133.13 170.67 15.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -140.36 155.23 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.426 ' C ' HG23 ' A' ' 59' ' ' VAL . 4.8 m-85 -97.7 113.72 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG23 ' C ' ' A' ' 58' ' ' PHE . 61.0 t -140.71 118.34 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 54.09 40.51 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.38 31.95 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -133.93 177.66 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.518 HG21 ' CZ ' ' A' ' 37' ' ' ARG . 7.1 pt -126.09 139.91 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 78.9 m-85 -147.71 168.29 22.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' GLU . 25.1 p -81.26 139.57 35.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' CYS . 24.9 tt0 -35.15 -41.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' ALA . 4.3 m80 -64.67 -55.39 20.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.44 -61.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -45.68 -50.1 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.8 -40.38 75.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' CG1' ' A' ' 25' ' ' ILE . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.785 0.244 . . . . 0.0 112.376 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.7 ptm -59.99 126.84 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.5 t -52.17 144.02 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -83.67 -35.19 24.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 30.7 tptt -60.61 -67.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 p -79.63 -62.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -136.18 146.3 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 116.0 5.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.499 HG21 ' CD2' ' A' ' 29' ' ' PHE . 89.8 mt -72.14 135.98 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.485 ' N ' HG22 ' A' ' 25' ' ' ILE . 8.6 p -130.63 118.42 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -135.42 12.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.37 144.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CD2' HG21 ' A' ' 25' ' ' ILE . 22.1 p90 -168.21 161.7 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.2 102.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.581 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.62 109.01 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' ARG . 86.5 mt -81.55 164.06 22.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 32' ' ' LEU . 2.1 mpt_? -32.02 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 18.1 t70 -117.98 10.57 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 31.6 mmt180 -129.34 174.49 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.581 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 58.7 m80 -139.41 137.19 35.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -143.96 169.67 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.507 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 15.1 m80 -77.96 163.33 63.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.6 Cg_endo -69.72 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -115.31 -29.61 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.4 m -79.67 -5.79 55.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 20.4 t80 -74.43 8.73 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -78.73 167.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -59.27 150.37 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.408 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 94.9 m -84.04 -32.85 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 9.9 t70 -69.21 -66.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.56 -64.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.59 54.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -108.55 150.14 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -57.4 114.58 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 34.0 mt -98.64 13.19 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.4 -59.23 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -93.35 -47.47 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -44.25 -62.79 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.43 154.03 8.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -122.33 153.75 38.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -126.98 170.5 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' C ' HG22 ' A' ' 59' ' ' VAL . 10.8 m-85 -112.38 116.41 30.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 58' ' ' PHE . 61.4 t -144.31 114.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 58.09 40.31 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 64.15 32.07 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -133.36 176.61 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.8 pt -124.98 135.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 69.1 m-85 -142.31 176.18 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 2.9 p -95.15 141.28 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 65' ' ' CYS . 41.1 tt0 -32.71 -39.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 tmtp? -55.58 -58.66 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' GLU . 12.3 m170 -73.83 -48.96 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.66 -61.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 70' ' ' ARG . 6.8 ptt180 -50.54 -25.74 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' HIS . 47.5 mt-10 -87.37 -22.14 25.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 17.3 mtp85 -87.85 -34.64 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.8 0.25 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mtt -61.46 132.53 53.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.11 147.19 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' HB3' ' CG ' ' A' ' 37' ' ' ARG . 36.0 t0 -84.73 -32.21 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.484 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 18.0 tptp -69.83 -69.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.73 -65.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.6 48.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.9 p -130.06 134.46 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.163 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.88 108.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 29' ' ' PHE . 57.3 mt -66.8 144.78 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.71 118.61 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.67 -128.99 9.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.425 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 p -73.45 141.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.476 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 31.2 p90 -164.93 157.77 16.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.95 102.07 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HD3' ' C ' ' A' ' 31' ' ' LYS . 2.9 tmtp? -75.3 102.05 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' CD1' ' NH1' ' A' ' 37' ' ' ARG . 22.8 mt -96.11 169.96 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.619 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.9 mmt-85 -51.97 124.97 14.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.8 m-20 32.66 28.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 33' ' ' ARG . 24.9 mmt180 -137.88 173.25 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -149.97 129.84 13.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 8.6 mtt85 -143.65 165.47 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.8 m80 -80.01 161.69 64.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.7 Cg_endo -69.74 -9.69 26.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.91 -24.42 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.484 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 71.9 m -82.02 -3.85 55.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.47 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 12.6 t80 -73.43 5.5 3.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -73.22 159.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.34 153.38 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.451 HG21 ' NE2' ' A' ' 62' ' ' GLN . 85.5 m -87.68 -34.59 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 20.2 t0 -67.21 -66.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.3 -62.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.84 54.81 0.25 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -111.09 148.86 31.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -57.08 116.4 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.0 mt -97.5 11.81 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -56.49 -58.95 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -85.59 -59.6 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -46.45 -45.39 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.17 168.71 20.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.26 159.89 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -129.17 154.97 46.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.33 112.36 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.52 112.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 60.39 42.42 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.21 32.04 19.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' NE2' HG21 ' A' ' 45' ' ' THR . 16.3 mt-30 -134.04 178.03 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.91 137.71 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 58.7 m-85 -143.39 174.47 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' GLU . 20.8 p -88.94 145.29 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' CYS . 34.7 tt0 -36.21 -42.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -57.41 -58.69 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 4.7 m170 -65.73 -60.4 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -37.88 -39.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -67.01 -44.98 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' HIS . 5.8 pt-20 -70.48 -29.49 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.559 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 14.2 mtp85 -65.39 -50.53 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.794 0.247 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -53.49 128.74 29.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.0 t -52.14 158.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -98.91 -42.75 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -60.58 -60.7 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 p -90.0 -58.06 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.25 58.05 0.5 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -137.52 142.86 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.85 110.52 0.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 26' ' ' VAL . 95.9 mt -67.36 142.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.484 ' N ' HG22 ' A' ' 25' ' ' ILE . 7.5 p -136.35 129.5 46.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.23 -136.53 17.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.96 143.83 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.454 ' CB ' HG21 ' A' ' 25' ' ' ILE . 21.8 p90 -168.03 165.86 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.2 t -95.9 107.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.567 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -84.04 123.1 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 56' ' ' HIS . 78.3 mt -98.88 165.87 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.04 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -118.08 -2.74 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.9 mmm180 -113.83 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 62.1 m80 -143.05 147.23 34.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -148.57 175.5 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.452 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 11.7 m80 -84.9 163.11 47.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 54.0 Cg_endo -69.75 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -115.01 -28.6 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.2 m -76.75 -28.58 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -44.18 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.426 ' HB ' ' C ' ' A' ' 48' ' ' GLY . 27.8 m -52.09 161.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 45' ' ' THR . 41.4 t -55.08 162.59 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.403 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 95.3 m -90.2 -38.65 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 9.8 t0 -65.9 -65.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.19 -61.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 113.98 50.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -103.34 149.55 24.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.44 117.47 4.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.2 mt -103.15 15.01 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -42.44 -55.87 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' LYS . 76.4 mt-30 -98.02 -58.44 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' GLN . 51.5 mttm -33.54 -48.71 0.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.68 168.66 19.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.542 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.57 ' CE1' HD22 ' A' ' 32' ' ' LEU . 3.3 p-80 -133.19 156.21 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 40.8 m-85 -118.97 166.74 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -113.69 111.56 22.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.637 HG12 ' CD2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -154.04 126.48 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 59.38 40.28 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 t70 54.97 31.98 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -135.5 178.0 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.557 HG23 ' CD2' ' A' ' 56' ' ' HIS . 5.2 pt -128.9 130.96 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.637 ' CD2' HG12 ' A' ' 59' ' ' VAL . 7.3 m-85 -133.12 176.58 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' LYS . 15.7 p -89.98 141.12 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.553 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 51.7 tt0 -32.05 -36.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 13.2 ttmm -63.76 -58.59 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 29.7 m170 -69.45 -43.94 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 57' ' ' PHE . . . -48.53 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 21.3 ptt180 -49.93 -37.03 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 34.1 mt-10 -67.6 -39.1 84.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -76.16 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HG2' ' HB ' ' A' ' 25' ' ' ILE . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.727 0.22 . . . . 0.0 112.361 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 22' ' ' GLY . 5.2 mtt -52.04 125.75 16.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 2.9 t -60.72 153.66 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.01 -47.75 60.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -56.18 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -68.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 17' ' ' MET . . . 102.12 44.4 1.89 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.426 ' O ' ' HE2' ' A' ' 17' ' ' MET . 6.8 p -97.99 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 111.121 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.52 97.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.614 HG22 ' CB ' ' A' ' 29' ' ' PHE . 60.4 mt -55.81 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.04 130.38 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -147.34 45.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 p -52.0 149.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CB ' HG22 ' A' ' 25' ' ' ILE . 16.6 p90 -165.54 175.81 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.0 t -118.03 102.03 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.591 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.6 tmtt? -76.46 115.14 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 56' ' ' HIS . 79.1 mt -80.99 166.43 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -31.96 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.499 ' O ' ' NE ' ' A' ' 35' ' ' ARG . 75.9 m-20 -117.92 9.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 34' ' ' ASP . 16.1 mmp_? -128.38 173.73 9.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.591 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 60.6 m80 -131.97 146.23 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.418 ' NH2' HG12 ' A' ' 63' ' ' ILE . 11.2 mtt180 -153.06 147.4 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 22.2 m170 -56.86 161.07 5.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.78 -7.41 21.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -117.64 -23.93 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.425 ' C ' ' H ' ' A' ' 43' ' ' VAL . 99.0 m -82.18 -8.28 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -70.94 5.39 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' H ' ' C ' ' A' ' 41' ' ' CYS . 30.8 m -78.63 159.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -54.58 152.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.444 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 90.4 m -85.83 -32.39 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.475 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.6 t0 -69.15 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -94.77 -64.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.74 54.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -104.89 148.75 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.74 107.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.4 mt -90.52 11.88 20.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -46.95 -55.96 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.86 -56.21 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -39.84 -48.52 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 163.42 19.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.513 ' CE1' HD23 ' A' ' 32' ' ' LEU . 6.1 p-80 -126.89 164.31 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -126.95 167.2 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.438 ' C ' HG22 ' A' ' 59' ' ' VAL . 13.2 m-85 -113.25 110.49 20.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.438 HG22 ' C ' ' A' ' 58' ' ' PHE . 60.3 t -141.13 118.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t70 62.79 32.04 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -132.93 174.34 10.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.418 HG12 ' NH2' ' A' ' 37' ' ' ARG . 11.9 pt -123.51 140.33 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.444 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 58.9 m-85 -148.37 175.23 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 68' ' ' HIS . 26.7 p -94.89 141.07 29.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' CYS . 43.2 tt0 -33.52 -40.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -57.74 -49.59 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 65' ' ' CYS . 9.4 m170 -81.88 -52.76 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -43.94 -54.94 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -51.54 -34.63 37.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -72.53 -31.71 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' VAL . 29.9 mtp85 -73.54 -48.88 29.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.786 0.244 . . . . 0.0 112.372 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.96 115.32 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 19' ' ' ASP . 33.9 t -52.05 161.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.425 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 1.1 t0 -97.97 -45.26 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.01 -58.53 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -95.53 -63.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.38 69.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.0 p -157.53 132.37 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.155 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.1 122.34 3.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.476 HG12 ' NE2' ' A' ' 38' ' ' HIS . 14.8 mt -80.53 161.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.8 p -131.75 123.88 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.38 -139.91 26.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.35 132.54 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.511 ' CZ ' ' HG3' ' A' ' 16' ' ' PRO . 3.1 p90 -165.33 157.57 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.563 HG21 ' CA ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -80.05 131.68 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -112.74 102.84 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' ARG . 58.5 mt -81.03 166.85 20.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -31.96 -73.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.98 9.06 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.3 mmt85 -130.08 173.82 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.573 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 36.0 m80 -137.46 153.38 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.563 ' CA ' HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -147.59 165.04 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.476 ' NE2' HG12 ' A' ' 25' ' ' ILE . 26.9 m80 -79.41 158.21 74.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.1 27.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.323 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -112.97 -22.47 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.45 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 87.5 m -83.12 -29.83 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -43.46 -22.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.8 m -52.33 155.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.06 138.99 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.433 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 17.1 m -75.41 -26.95 58.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.603 ' OD1' ' CE1' ' A' ' 68' ' ' HIS . 11.1 t70 -71.57 -66.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.03 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.4 49.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -108.53 137.87 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -57.53 116.27 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 16.5 mt -93.19 9.41 36.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -45.11 -49.9 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -97.87 -54.72 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -45.23 -50.66 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.68 153.76 11.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 56' ' ' HIS . 2.0 p-80 -114.02 145.72 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 14.4 m-85 -112.25 150.31 31.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.433 ' C ' HG21 ' A' ' 59' ' ' VAL . 19.8 m-85 -96.13 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.433 HG21 ' C ' ' A' ' 58' ' ' PHE . 94.3 t -142.57 111.28 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 59.08 42.76 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 62.46 32.02 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -132.42 171.49 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.494 ' CD1' ' CZ ' ' A' ' 37' ' ' ARG . 6.6 pt -121.57 138.16 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.433 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 80.9 m-85 -147.12 174.1 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.1 p -90.55 150.87 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -42.44 -42.49 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.13 -66.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.603 ' CE1' ' OD1' ' A' ' 46' ' ' ASP . 6.0 m80 -61.8 -56.81 15.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.58 -61.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -43.09 -47.62 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -60.9 -37.47 82.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -69.48 -56.55 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--O 1.23 0.103 0 CA-C-O 120.794 0.247 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtt -52.45 135.27 33.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.54 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 48.9 t -54.78 149.74 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -28.07 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -70.83 -65.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.5 p -91.93 -54.02 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.56 72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.3 p -154.0 132.86 12.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.26 131.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.552 HG22 ' CG ' ' A' ' 29' ' ' PHE . 97.2 mt -94.99 148.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' N ' HG23 ' A' ' 25' ' ' ILE . 11.7 p -143.85 138.97 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 64.58 -143.54 47.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.46 133.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CG ' HG22 ' A' ' 25' ' ' ILE . 3.2 p90 -166.04 159.36 15.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.546 HG22 ' CA ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -78.9 128.25 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -111.44 104.9 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' A' ' 56' ' ' HIS . 28.0 mt -85.47 167.39 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' LEU . 63.4 mtt85 -31.96 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -117.89 4.85 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.7 mmt85 -123.71 171.58 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 9.0 m80 -140.79 148.55 40.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.546 ' CA ' HG22 ' A' ' 30' ' ' VAL . 4.5 mtm-85 -145.43 170.17 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 19.5 m80 -82.58 159.81 63.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.59 34.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.718 2.278 . . . . 0.0 112.316 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -112.28 -17.84 12.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 43' ' ' VAL . 85.1 m -92.41 3.03 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.439 ' HB2' HG11 ' A' ' 30' ' ' VAL . 19.1 t80 -78.07 17.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.428 ' H ' ' C ' ' A' ' 41' ' ' CYS . 31.5 m -81.64 154.31 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.0 t -55.88 127.45 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -61.41 -29.83 70.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.429 ' OD2' ' CE1' ' A' ' 68' ' ' HIS . 10.5 t0 -69.76 -67.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.81 -63.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 124.16 52.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -112.56 140.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -54.59 109.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -90.04 10.93 22.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -43.87 -58.28 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.35 -42.85 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -52.86 -44.62 66.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.82 149.88 25.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.57 ' CE1' HD23 ' A' ' 32' ' ' LEU . 13.5 p-80 -111.28 164.34 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 8.3 m-85 -127.05 168.62 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.447 ' C ' HG21 ' A' ' 59' ' ' VAL . 8.3 m-85 -111.98 113.05 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.447 HG21 ' C ' ' A' ' 58' ' ' PHE . 57.9 t -140.73 119.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 52.22 44.38 29.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 61.0 32.05 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 27.0 mt-30 -133.43 177.18 7.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.45 HD12 ' NH2' ' A' ' 37' ' ' ARG . 6.6 pt -124.97 147.28 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -156.13 172.06 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.5 p -86.7 138.35 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.8 tt0 -32.69 -45.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -65.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' ALA . 8.1 m170 -63.47 -54.74 31.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' ARG . . . -33.87 -64.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -39.35 -46.65 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.38 -36.39 80.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 69' ' ' ALA . 26.3 mtt85 -78.04 -58.25 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.785 0.244 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mtt -64.59 115.63 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 9.0 t -57.3 143.75 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 16.6 t0 -79.73 -36.5 37.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 8.1 tptp -59.28 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.6 -69.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.65 56.31 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 p -141.27 131.38 24.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.03 123.54 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.587 HG12 ' CD2' ' A' ' 38' ' ' HIS . 6.4 mt -84.0 154.98 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.74 120.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -134.58 16.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.77 134.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 16' ' ' PRO . 3.1 p90 -168.04 153.13 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.577 HG23 ' CA ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -76.03 135.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.583 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -116.77 102.39 9.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' ARG . 88.6 mt -81.6 167.48 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -31.96 -73.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.97 7.24 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.4 mmt180 -127.24 174.52 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.583 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 23.2 m80 -139.48 152.17 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.577 ' CA ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -145.98 166.02 27.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.587 ' CD2' HG12 ' A' ' 25' ' ' ILE . 25.1 m80 -78.6 156.55 77.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -5.99 17.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.72 -25.12 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 75.7 m -81.44 -26.8 35.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.405 ' HB2' HG11 ' A' ' 30' ' ' VAL . 29.3 t80 -45.34 -21.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -54.3 154.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.4 t -51.94 145.9 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.6 m -82.31 -28.88 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 20.1 t0 -73.04 -64.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 p -92.65 -66.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.11 44.94 0.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.53 139.2 41.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -55.53 114.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 mt -87.23 14.27 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -50.88 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -90.42 -43.39 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.02 -42.86 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.68 145.27 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.496 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 1.4 p-80 -108.15 161.66 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 11.3 m-85 -128.36 171.39 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' C ' HG22 ' A' ' 59' ' ' VAL . 25.7 m-85 -114.59 109.97 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.401 HG22 ' C ' ' A' ' 58' ' ' PHE . 96.8 t -141.19 113.45 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 58.63 41.67 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t0 62.75 32.01 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.46 176.52 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 7.0 pt -126.85 134.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -142.87 171.33 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.3 p -85.48 144.85 27.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -37.68 -43.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -55.33 -64.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.5 m170 -63.98 -55.92 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.35 -65.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -39.95 -50.29 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -55.21 -40.3 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 73' ' ' VAL . 55.4 mtt85 -71.68 -50.59 29.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 72' ' ' ARG . 86.4 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -94.37 -49.6 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 p 52.16 39.5 26.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.98 -116.38 3.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t 62.97 41.96 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -97.11 153.91 17.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.69 108.11 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 p -76.67 129.17 35.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 pt -153.66 140.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.47 -125.81 0.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -55.16 157.32 3.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.25 142.81 22.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -53.56 133.77 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -58.46 133.9 56.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -126.68 140.3 37.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.593 0.711 . . . . 0.0 110.946 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.76 91.7 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.357 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 ptm -59.44 130.54 47.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 42.1 t -54.48 158.7 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -98.15 -41.92 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -54.32 -59.31 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.24 -56.92 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.12 56.54 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -141.29 142.16 33.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.55 119.74 6.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 16' ' ' PRO . 74.3 mt -80.2 153.58 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 p -147.72 130.55 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.29 -137.57 16.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.7 p -67.4 139.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -164.97 170.74 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.5 t -108.17 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.577 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.28 123.8 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' ARG . 57.6 mt -92.56 166.35 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 9.1 ttt180 -31.97 -72.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.02 -1.99 11.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 26.8 mmm180 -117.05 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.577 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 44.9 m80 -137.14 147.43 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -147.09 167.42 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.442 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 15.4 m80 -78.52 161.88 68.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.732 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.7 Cg_endo -69.77 -10.59 28.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -112.16 -26.25 8.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' VAL . 71.0 m -78.68 -28.63 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -43.55 -22.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' CYS . 14.1 m -54.56 159.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.47 154.81 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -88.03 -33.99 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.18 -65.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -93.83 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.25 51.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.7 t -100.77 146.31 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.102 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -61.91 104.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -84.38 12.88 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -50.16 -56.95 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -93.66 -48.36 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -50.73 -51.89 45.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.05 165.4 19.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.454 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 1.5 p-80 -120.14 152.72 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -115.95 164.94 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' C ' HG22 ' A' ' 59' ' ' VAL . 13.5 m-85 -110.47 110.36 21.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.408 HG22 ' C ' ' A' ' 58' ' ' PHE . 96.8 t -141.26 114.62 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 58.26 41.56 23.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 62.07 32.02 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -132.97 176.59 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.2 pt -126.63 135.94 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.41 170.38 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' HIS . 25.1 p -85.47 138.53 32.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.8 tt0 -33.41 -36.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' CYS . 39.4 tttp -61.73 -49.78 75.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.5 m80 -81.99 -49.74 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.57 -57.36 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 2.2 ptm85 -48.78 -42.63 36.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 6.9 mm-40 -63.43 -37.22 86.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -74.46 -58.05 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.8 p -56.58 -26.82 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.4 t -120.44 112.01 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.17 -146.69 17.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -179.32 2.82 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -138.71 110.1 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.9 p -83.94 115.14 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.467 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -148.34 151.89 36.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -129.79 171.17 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.92 139.58 9.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -118.4 177.56 4.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -161.42 157.92 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.99 109.04 1.32 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -104.78 157.22 17.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.854 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -113.85 125.65 71.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' N ' HD12 ' A' ' 9' ' ' ILE . . . -122.15 -66.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -53.37 148.87 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.14 147.28 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -82.38 142.87 31.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -110.39 17.93 20.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.0 mt -112.32 143.09 28.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 101.09 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -61.24 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -52.01 156.89 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.98 -39.06 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -82.23 -53.92 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.65 65.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.5 p -144.62 145.99 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.15 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 112.84 2.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.465 HG12 ' CE1' ' A' ' 38' ' ' HIS . 62.3 mt -74.4 153.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.5 p -151.1 126.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.55 -135.9 14.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 29' ' ' PHE . 7.6 p -62.51 140.44 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' N ' HG21 ' A' ' 28' ' ' VAL . 6.9 p90 -167.63 161.92 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.3 t -92.37 102.04 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -77.05 104.99 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 33' ' ' ARG . 78.8 mt -82.69 165.02 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' LEU . 61.2 mtt180 -32.1 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -118.01 12.33 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -128.8 174.79 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.6 m80 -140.84 143.83 35.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.456 ' CZ ' HD12 ' A' ' 63' ' ' ILE . 10.8 mtt85 -149.76 166.86 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.467 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 26.8 m80 -79.05 162.04 66.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.85 -9.8 26.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.43 -28.03 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 43' ' ' VAL . 67.5 m -79.72 -2.24 42.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.509 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 12.6 t80 -69.85 6.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.439 ' H ' ' C ' ' A' ' 41' ' ' CYS . 29.4 m -72.65 160.84 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.5 t -53.82 162.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.7 m -97.57 -35.29 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 16.7 t0 -66.58 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -95.6 -56.95 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.09 51.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.4 145.31 31.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -55.22 107.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 28.1 mt -90.58 14.38 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -50.35 -49.77 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' LYS . 37.0 mt-30 -97.54 -60.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLN . 28.3 mtpt -35.74 -66.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.88 168.08 12.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 4.0 p-80 -130.48 154.01 48.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -124.53 166.07 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -109.5 110.83 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.4 t -140.04 115.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 58.26 41.89 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 61.49 32.47 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -132.98 177.07 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.456 HD12 ' CZ ' ' A' ' 37' ' ' ARG . 17.9 pt -123.89 139.57 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -149.3 170.11 19.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 6.2 p -83.57 146.84 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -38.33 -48.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -60.97 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 71' ' ' GLU . 15.9 m170 -63.54 -62.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.31 -45.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -61.66 -46.55 89.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 68' ' ' HIS . 4.0 pt-20 -71.46 -29.21 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -69.21 -47.09 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 p -71.2 -41.62 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.3 t -75.55 149.79 38.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.71 171.03 44.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 2.78 3.22 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.3 p -82.09 159.31 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.7 m -70.11 166.64 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.482 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -85.99 -50.85 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -166.3 167.64 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.85 165.87 18.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -139.18 148.74 43.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -142.87 155.52 44.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.47 -178.98 32.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.556 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -111.26 163.72 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.823 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.4 mt -137.43 112.87 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.04 133.84 1.73 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -64.63 147.41 53.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.78 134.87 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -65.25 153.71 40.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.35 152.9 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -148.22 148.05 27.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 101.97 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 mtp -62.33 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.52 157.89 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -102.57 -33.77 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 5.5 tmtm? -67.46 -63.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.03 -51.52 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' C ' HG23 ' A' ' 23' ' ' THR . . . 104.52 70.44 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 22' ' ' GLY . 73.0 p -155.17 133.55 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.49 123.76 4.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.417 HG12 ' CE1' ' A' ' 38' ' ' HIS . 58.3 mt -85.15 151.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -147.78 126.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.72 -135.83 13.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.14 136.13 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -163.11 160.62 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.14 102.04 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.26 111.5 10.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' ARG . 92.9 mt -81.93 165.2 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 10.4 ttt180 -32.05 -72.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.0 8.74 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.7 mmm180 -129.0 174.81 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 46.2 m80 -136.82 139.93 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.539 ' NH1' ' CD1' ' A' ' 63' ' ' ILE . 24.4 mtt180 -140.5 164.11 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 37.2 m80 -74.15 160.16 82.22 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.74 -9.09 25.26 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.71 -22.31 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' VAL . 85.0 m -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -45.26 -19.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' C ' ' A' ' 41' ' ' CYS . 19.4 m -52.05 159.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.31 161.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.414 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 41.9 m -94.04 -37.05 11.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 14.1 t0 -64.69 -65.51 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -93.19 -59.52 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.77 52.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.5 t -106.29 151.02 25.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -61.62 116.18 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.7 mt -98.67 1.51 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -42.48 -52.71 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 54' ' ' LYS . 10.3 mm100 -92.81 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' GLN . 40.4 mttp -36.07 -62.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.57 162.66 11.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -126.59 152.63 46.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -114.7 170.75 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.447 ' C ' HG23 ' A' ' 59' ' ' VAL . 5.4 m-85 -113.1 110.55 20.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.447 HG23 ' C ' ' A' ' 58' ' ' PHE . 39.2 t -140.4 120.39 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 53.05 42.76 32.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 t0 61.25 31.97 19.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.96 177.64 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.539 ' CD1' ' NH1' ' A' ' 37' ' ' ARG . 9.9 pt -124.97 139.97 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.414 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 68.3 m-85 -150.06 162.27 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.7 p -77.64 142.09 39.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.0 tt0 -34.97 -44.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -55.67 -62.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ALA . 5.2 m170 -63.21 -54.43 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.22 -64.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -45.68 -43.85 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.13 -28.8 69.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' SER . 17.8 mtp85 -80.59 -55.99 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -39.96 -25.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ARG . 25.1 t -51.35 -47.48 62.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.45 144.08 5.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 145.01 55.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.6 m -50.34 -47.77 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t 61.97 41.92 10.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.465 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 t -141.21 157.46 45.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.81 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -150.68 150.74 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.66 -164.48 9.93 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -157.72 118.25 3.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -93.78 174.83 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.39 176.02 35.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -133.29 140.39 47.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.7 mt -105.99 133.4 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.15 -52.3 0.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -62.84 174.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.35 124.08 49.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -65.58 129.19 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -108.66 17.96 21.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -144.99 141.62 17.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . 53.3 Cg_endo -69.77 95.02 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -60.5 130.29 45.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 41.8 t -52.02 156.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -96.86 -44.49 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -55.96 -64.39 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.0 p -83.34 -57.82 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.34 65.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 p -150.42 139.99 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.5 119.11 6.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.492 HG21 ' N ' ' A' ' 26' ' ' VAL . 78.5 mt -76.72 142.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.492 ' N ' HG21 ' A' ' 25' ' ' ILE . 7.7 p -137.02 119.43 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.06 -130.72 10.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.03 142.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.468 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 32.3 p90 -168.39 168.04 11.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.84 104.96 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 6.8 tmtt? -76.99 112.43 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' ARG . 89.7 mt -81.83 166.78 19.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.01 -72.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -117.99 -1.24 11.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 17.9 mmt-85 -117.77 175.79 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.58 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 43.9 m80 -139.65 139.91 36.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 mtt85 -141.4 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 21.0 m80 -82.33 163.15 53.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.2 Cg_endo -69.78 -11.3 30.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -111.96 -26.87 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -85.44 -3.21 58.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 13.6 t80 -74.86 8.77 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.8 161.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -52.32 152.49 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -86.92 -34.85 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -92.62 -63.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.08 52.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -104.27 160.91 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 111.105 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.42 121.88 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -107.4 10.01 29.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -46.55 -51.05 16.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -97.98 -56.53 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -43.88 -48.6 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 157.56 26.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.57 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 2.4 p-80 -114.28 159.09 20.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -119.02 161.18 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' C ' HG22 ' A' ' 59' ' ' VAL . 4.6 m-85 -103.14 114.41 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.425 HG22 ' C ' ' A' ' 58' ' ' PHE . 97.2 t -142.86 115.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 55.95 42.36 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 61.73 31.96 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -133.58 177.62 7.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.57 ' CG2' ' CD2' ' A' ' 56' ' ' HIS . 8.1 pt -127.15 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -149.49 173.63 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . 10.9 p -91.38 140.02 30.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 25.6 tt0 -33.97 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -56.36 -48.53 76.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 8.5 m170 -85.16 -49.35 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.24 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 10.0 ptm180 -61.12 -35.76 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 38.2 mt-10 -75.19 -31.47 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -72.42 -57.64 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 p -49.42 -34.69 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.2 m 49.69 40.78 20.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.94 -173.21 49.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.97 7.67 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.2 p -146.88 162.11 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -76.85 -43.97 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 70' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -143.9 144.93 31.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.851 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -167.61 159.62 12.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.83 130.79 3.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -160.26 152.21 20.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -157.04 162.7 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.31 171.79 44.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 t -122.76 129.54 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.821 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.18 135.18 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.92 91.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -163.96 162.51 23.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.83 173.39 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -133.33 115.91 15.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -82.71 17.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.8 mt -139.36 141.6 29.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 53.2 Cg_endo -69.77 91.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ptp -56.51 139.03 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 49.1 t -62.27 134.29 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.96 -37.33 64.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 16.7 tptp -56.01 -65.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -68.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.42 61.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -149.38 133.43 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.02 125.37 2.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 16' ' ' PRO . 85.1 mt -84.85 142.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.501 ' N ' HG21 ' A' ' 25' ' ' ILE . 11.1 p -131.3 122.74 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.07 -143.87 18.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.67 145.0 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -166.5 169.82 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG11 ' CD2' ' A' ' 32' ' ' LEU . 77.4 t -98.99 102.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -78.19 104.21 8.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' CD2' HG11 ' A' ' 30' ' ' VAL . 4.2 mm? -82.23 162.67 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.6 mtt85 -32.61 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.07 11.99 13.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -128.72 174.67 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.574 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 78.0 m80 -143.2 135.78 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 46.7 mtt180 -141.64 169.71 17.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 12.4 m80 -77.02 162.16 70.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.8 Cg_endo -69.79 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.35 -28.19 6.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.2 m -82.03 -0.93 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 19.8 t80 -74.56 8.7 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 41' ' ' CYS . 33.4 m -82.67 156.2 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.95 156.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.487 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.4 m -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' CG ' ' NE2' ' A' ' 68' ' ' HIS . 7.1 t70 -67.12 -66.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.52 -60.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.89 49.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -103.05 152.93 20.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -69.91 111.01 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.9 mt -88.4 15.54 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -46.0 -52.71 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.71 -37.66 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -49.4 -47.83 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.51 151.56 9.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.458 ' CE1' ' CD1' ' A' ' 32' ' ' LEU . 7.8 p-80 -121.67 166.24 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.44 149.21 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' C ' HG22 ' A' ' 59' ' ' VAL . 8.1 m-85 -95.18 111.66 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.487 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 84.1 t -141.53 108.81 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 64.24 39.98 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.94 31.98 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -133.74 176.3 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.461 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 10.6 pt -122.05 140.43 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CE1' ' HB ' ' A' ' 59' ' ' VAL . 29.8 m-85 -145.92 176.1 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' GLU . 15.9 p -98.34 141.46 31.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.2 tt0 -33.22 -45.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -51.3 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.501 ' NE2' ' CG ' ' A' ' 46' ' ' ASP . 8.5 m80 -70.27 -55.41 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.53 -60.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -47.9 -45.76 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.53 -38.79 88.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -68.44 -56.87 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.75 -30.82 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 t -95.83 16.46 17.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.29 178.41 8.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 103.83 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.733 2.289 . . . . 0.0 112.337 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.0 t -76.18 -59.28 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -130.11 140.7 50.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.507 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -106.92 155.7 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -85.91 -54.13 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.26 96.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -154.93 143.37 20.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -72.58 134.7 45.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.24 -144.13 9.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -99.81 155.93 17.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -107.23 151.31 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.23 138.41 3.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -134.17 109.3 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.49 -56.16 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.28 125.02 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -65.68 154.44 38.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 mt -138.12 140.78 29.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 113.46 3.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -68.86 130.72 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.1 t -56.74 164.04 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.26 -43.25 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -66.08 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -75.92 -46.81 28.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.2 55.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -136.8 136.67 39.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.95 108.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 29' ' ' PHE . 26.3 mt -67.37 137.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 25' ' ' ILE . 7.8 p -130.96 117.29 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.73 -131.91 10.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.93 146.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.486 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 35.9 p90 -168.11 161.95 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -99.03 102.04 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.04 110.48 11.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 33' ' ' ARG . 52.4 mt -82.51 167.26 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 60.0 mtt180 -31.99 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -118.01 3.91 12.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.4 mmm180 -121.25 173.87 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.569 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 74.6 m80 -134.65 151.72 51.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.568 ' NH2' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -156.34 169.79 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.505 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.3 m80 -85.08 163.92 43.65 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.555 0.693 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.7 -6.46 18.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -118.03 -30.59 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.461 ' C ' ' H ' ' A' ' 43' ' ' VAL . 62.5 m -77.11 -2.07 32.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 8.7 t80 -74.52 14.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.461 ' H ' ' C ' ' A' ' 41' ' ' CYS . 33.5 m -78.37 154.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.4 t -52.1 161.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -90.52 -38.98 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 7.7 t70 -65.12 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -90.17 -60.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.51 57.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -113.69 151.23 32.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -57.15 108.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 28.1 mt -89.64 16.49 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 53' ' ' GLN . 4.6 tmmm? -58.9 -58.91 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' N ' ' HD2' ' A' ' 52' ' ' LYS . 52.4 mt-30 -79.52 -64.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -45.04 -59.02 2.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.41 171.14 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -128.76 156.4 43.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -121.15 167.39 12.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 12.1 m-85 -112.83 110.84 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 63.1 t -140.31 120.08 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 55.98 43.81 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t0 59.37 32.01 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -132.78 176.07 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.568 ' CD1' ' NH2' ' A' ' 37' ' ' ARG . 6.6 pt -124.16 140.04 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -148.98 161.41 41.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.455 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 9.0 p -75.77 141.84 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 23.2 tt0 -34.33 -45.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.37 -61.91 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 9.0 m170 -61.14 -55.84 27.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.29 -62.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -45.53 -50.88 12.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -52.93 -42.36 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -63.18 -57.35 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.9 t -43.07 -54.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 t -65.79 -61.18 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.54 153.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -178.15 2.19 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 t -115.09 149.73 37.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -64.12 172.98 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.51 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -152.61 118.18 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.879 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -165.64 156.63 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.69 145.94 4.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -146.72 136.22 22.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.4 m -122.71 140.48 52.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.18 172.48 12.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -90.11 123.81 34.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -112.01 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.74 77.9 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.71 148.58 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.53 117.04 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -106.37 116.63 32.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 3.6 mppt? -94.24 17.99 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -116.85 150.1 45.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.77 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 24' ' ' GLY . 1.8 mmt -59.52 141.02 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 t -72.78 135.34 45.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.9 -32.62 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 11.6 tptm -68.18 -63.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.99 -69.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.55 47.28 0.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.7 p -135.13 132.08 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' N ' ' SD ' ' A' ' 17' ' ' MET . . . -40.58 126.59 2.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 38' ' ' HIS . 44.0 mt -87.54 154.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.18 130.93 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 79.08 -142.97 25.82 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.551 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.07 139.6 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 27' ' ' GLY . 3.0 p90 -167.06 170.36 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG13 ' CD2' ' A' ' 32' ' ' LEU . 66.2 t -102.29 101.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.588 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -83.31 106.94 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' ARG . 3.7 mm? -84.39 162.03 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.4 ttt-85 -32.26 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.05 12.49 13.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -128.55 172.95 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.588 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.7 m80 -143.72 136.38 27.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 50.2 mtt180 -146.81 156.97 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.6 m80 -66.27 163.05 42.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.3 Cg_endo -69.8 -9.97 27.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 5.5 pt-20 -110.39 -31.4 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 61.2 m -75.9 -23.48 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 13.5 t80 -43.51 -21.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.3 m -52.49 157.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.03 151.61 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.438 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 88.5 m -88.25 -33.5 18.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.421 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 15.2 t0 -67.85 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -95.94 -63.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.37 46.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.7 t -101.55 142.07 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.97 109.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 28.7 mt -88.69 16.23 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.44 -47.33 84.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -98.58 -41.63 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -62.91 -56.18 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.19 159.85 10.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 9.7 p-80 -124.39 160.97 26.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.36 151.83 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.428 ' C ' HG23 ' A' ' 59' ' ' VAL . 29.5 m-85 -95.73 110.17 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' C ' ' A' ' 58' ' ' PHE . 60.9 t -140.87 115.25 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 58.26 40.96 24.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t70 62.66 32.03 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -133.41 173.6 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 63' ' ' ILE . 8.3 pt -120.66 140.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 60.6 m-85 -151.11 169.15 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.9 p -85.75 147.93 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -40.14 -43.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -55.6 -66.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.421 ' ND1' ' HB3' ' A' ' 46' ' ' ASP . 17.2 m170 -62.22 -56.55 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.34 -55.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -52.73 -45.64 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' HIS . 41.7 mt-10 -60.44 -35.52 76.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -63.32 -53.94 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 74' ' ' SER . 6.2 p -66.94 -36.67 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.435 ' N ' HG13 ' A' ' 73' ' ' VAL . 15.3 t -67.15 -50.18 62.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' SER . . . -35.61 123.2 0.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.24 20.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -112.65 172.6 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.814 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m -48.35 -51.82 24.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.437 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -147.78 175.31 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -153.56 146.96 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.95 -179.15 42.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -128.62 112.0 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t -118.63 160.33 22.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 146.65 6.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.2 t -150.35 105.69 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -67.44 160.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.79 174.14 21.45 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -61.49 150.06 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.62 138.32 32.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -143.09 141.57 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 132.93 53.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.94 157.37 84.66 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.77 110.7 2.62 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.56 120.78 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 40.8 t -53.62 133.13 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.99 -37.81 84.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 15.8 tptp -58.68 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -69.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.28 50.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -135.89 139.5 43.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 111.16 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.73 113.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.536 HG22 ' CD2' ' A' ' 29' ' ' PHE . 85.4 mt -74.81 102.15 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 p -99.59 117.61 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.73 -150.17 17.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -64.51 148.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.536 ' CD2' HG22 ' A' ' 25' ' ' ILE . 22.4 p90 -168.62 173.4 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 t -103.95 104.64 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -76.63 110.18 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' ARG . 90.6 mt -82.35 163.39 21.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.44 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.03 11.51 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 19.8 mmt85 -128.89 174.2 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.578 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 70.3 m80 -140.36 138.88 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.452 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 15.7 mtt180 -145.99 159.93 42.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 20.1 m80 -64.16 160.9 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.74 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -116.89 -27.25 6.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 76.8 m -80.45 -7.91 59.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 17.2 t80 -70.92 1.39 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.4 m -72.11 168.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.05 155.65 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.548 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 60.1 m -88.99 -34.77 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -66.8 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -94.26 -62.44 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.79 54.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -107.59 157.26 18.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.186 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.94 111.0 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.33 11.91 22.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.94 -55.21 35.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -93.8 -57.0 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -43.22 -44.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.47 155.0 17.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.406 ' CE1' HD22 ' A' ' 32' ' ' LEU . 7.6 p-80 -119.27 159.5 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -128.31 166.25 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.43 112.12 23.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -140.61 119.91 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 54.33 39.64 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t0 64.14 32.07 12.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -132.34 174.24 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.452 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 12.1 pt -123.6 137.21 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 62.0 m-85 -145.49 172.68 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' GLU . 24.8 p -85.17 144.81 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.3 tt0 -37.4 -42.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.67 -66.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' ALA . 17.5 m170 -59.59 -54.91 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.2 -59.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -49.9 -49.77 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -54.97 -41.23 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' VAL . 54.0 mtt85 -68.2 -52.07 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' ARG . 98.4 t -34.49 -60.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' GLY . 3.3 m -102.57 120.84 41.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' SER . . . -36.89 137.7 0.51 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.67 23.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.5 p -139.78 120.61 14.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t -138.73 130.8 28.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.485 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -42.88 -57.35 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -83.28 -53.35 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.42 46.33 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -119.82 126.12 50.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -148.91 121.73 8.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.93 67.74 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m 53.37 42.15 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.4 pt -137.48 158.0 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.56 166.26 40.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -127.64 129.52 47.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.65 134.19 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -64.95 137.37 57.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -99.48 17.97 19.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.0 mt -136.21 137.6 25.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 92.5 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.8 ptp -55.94 137.1 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 10.1 t -60.61 145.03 50.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -82.39 -40.19 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.485 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 9.8 tptm -52.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.02 -65.23 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 122.65 53.7 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.0 p -139.38 143.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.39 123.51 15.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 26' ' ' VAL . 86.6 mt -79.79 143.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.474 ' N ' HG23 ' A' ' 25' ' ' ILE . 74.2 t -138.7 117.55 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 -137.63 13.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.31 144.11 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -166.67 170.88 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -103.72 103.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -74.77 125.45 28.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 10.8 mp -105.0 165.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' LEU . 15.1 ttt85 -32.01 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.01 -2.42 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.507 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 32.6 mmt180 -118.95 178.96 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 7.9 m80 -148.35 138.18 22.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.475 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 31.6 mtt180 -136.08 157.06 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.8 m80 -63.05 163.07 18.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 54.0 Cg_endo -69.77 -20.24 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -101.71 -30.13 11.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 56.5 m -82.84 0.51 43.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 29.5 t80 -76.02 13.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 41' ' ' CYS . 34.0 m -85.83 157.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.31 153.75 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.503 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 91.5 m -88.87 -34.28 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 32.8 t0 -68.54 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.7 -64.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.93 43.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -98.2 149.09 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -66.83 108.06 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.4 mt -83.85 11.55 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -42.81 -56.23 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 54' ' ' LYS . 31.6 mt-30 -94.66 -61.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.2 mttm -36.12 -47.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.5 160.07 17.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 36.2 p-80 -116.08 142.25 47.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.27 141.32 44.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.41 ' C ' HG22 ' A' ' 59' ' ' VAL . 31.2 m-85 -90.24 111.92 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG22 ' C ' ' A' ' 58' ' ' PHE . 93.4 t -141.87 109.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 62.52 41.17 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 63.43 31.98 14.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -134.03 176.79 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 5.1 pt -127.61 134.97 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.503 ' CE2' ' HB ' ' A' ' 45' ' ' THR . 38.2 m-85 -144.33 174.63 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 68' ' ' HIS . 27.0 p -92.22 137.31 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 27.2 tt0 -33.17 -40.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -57.67 -49.68 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' CYS . 9.5 m170 -83.97 -52.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.76 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.1 ptm180 -52.77 -40.49 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.8 mt-10 -64.13 -39.21 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -65.69 -56.07 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.7 t -39.36 -54.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.6 p -65.13 -57.31 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -38.56 144.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.19 68.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -73.73 122.33 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 t -76.4 -57.75 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.468 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -138.89 124.24 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -88.38 176.1 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.54 40.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -99.41 136.86 38.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -150.44 160.26 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.96 137.44 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -149.79 135.05 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.5 tt -107.3 145.39 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.34 131.38 10.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -113.84 129.26 56.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 112.22 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 1.9 pm0 -91.71 126.65 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -111.0 18.01 19.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.2 mt -137.2 144.68 46.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 101.13 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.627 2.218 . . . . 0.0 112.356 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.4 mtt -59.26 128.46 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.14 160.59 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.21 -54.76 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -50.51 -62.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -87.63 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 50.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -130.01 131.36 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.148 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.27 107.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 29' ' ' PHE . 41.3 mt -65.35 147.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.9 p -141.5 127.19 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.94 -134.55 13.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.55 139.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.468 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 10.0 p90 -167.01 159.17 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.5 t -90.12 102.78 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -76.18 107.52 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 33' ' ' ARG . 29.4 mt -81.92 165.7 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' LEU . 27.0 ttt180 -32.02 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -118.02 10.77 13.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.3 mmt180 -129.16 174.36 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.578 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.0 m80 -134.32 151.37 51.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' NH2' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -155.13 171.09 20.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.486 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 29.4 m80 -86.09 162.44 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.5 Cg_endo -69.77 -10.02 27.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -116.16 -24.5 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.491 ' C ' ' H ' ' A' ' 43' ' ' VAL . 74.9 m -84.04 1.46 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 7.8 t80 -74.12 17.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 41' ' ' CYS . 35.8 m -82.87 158.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.1 t -52.44 162.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.1 m -94.74 -36.47 11.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 23.3 t0 -67.15 -67.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.59 -56.45 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.98 49.04 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.7 t -108.86 152.14 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.347 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.67 121.05 11.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 23.0 mt -98.47 17.1 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -54.26 -58.54 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.82 -56.54 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -51.53 -52.12 49.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.22 161.5 24.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -116.23 154.9 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.58 162.42 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.436 ' C ' HG21 ' A' ' 59' ' ' VAL . 11.6 m-85 -105.09 110.74 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.436 HG21 ' C ' ' A' ' 58' ' ' PHE . 71.4 t -141.19 118.44 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 55.41 42.59 29.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.3 t0 60.78 31.99 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -132.37 173.98 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.473 ' CD1' ' NH2' ' A' ' 37' ' ' ARG . 4.7 pt -122.99 139.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -151.27 162.06 41.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 15.8 p -79.18 143.84 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' CYS . 40.5 tt0 -36.21 -44.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -54.49 -57.56 10.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 12.5 m170 -67.96 -54.62 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -37.39 -62.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -44.69 -46.11 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.74 -36.34 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -66.93 -52.42 43.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.04 -27.16 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.5 t -94.88 127.58 41.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 77' ' ' SER . . . -108.24 162.68 12.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 11.66 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 75' ' ' GLY . 60.4 p -52.09 128.49 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.6 m -96.19 167.0 11.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.498 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -105.3 145.38 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m 58.03 42.09 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.53 87.03 0.93 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -154.23 158.44 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.841 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -138.3 168.06 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.55 61.76 4.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -77.41 176.32 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.2 138.34 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.39 54.41 0.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -150.11 125.56 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.27 145.25 32.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -99.79 156.37 17.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -104.11 17.97 23.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.71 138.34 18.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.501 ' O ' ' CG1' ' A' ' 25' ' ' ILE . 54.2 Cg_endo -69.76 97.3 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 ptp -54.14 139.11 36.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 12.6 t -52.07 161.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -102.24 -35.35 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 29.4 tttm -68.72 -49.72 56.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.75 -51.1 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.11 63.02 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLY . 6.1 p -149.17 135.52 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -36.67 111.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 16' ' ' PRO . 92.2 mt -69.54 106.5 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.06 114.87 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.29 -139.3 14.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.437 ' HB ' ' HG3' ' A' ' 39' ' ' PRO . 15.8 t -55.56 147.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 20.4 p90 -168.74 151.75 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -102.26 102.04 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.521 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -64.42 102.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' ARG . 32.5 mt -83.74 166.99 17.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.5 ttt180 -32.01 -76.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -117.97 8.68 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.8 mmm180 -129.59 176.98 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 12.2 m80 -146.39 120.59 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 20' ' ' LYS . 16.5 mtt180 -122.87 165.12 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 20.7 m80 -69.72 159.32 84.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.437 ' HG3' ' HB ' ' A' ' 28' ' ' VAL . 54.4 Cg_endo -69.7 -5.37 16.02 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.9 -25.73 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.7 m -85.74 -0.68 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 15.1 t80 -75.11 8.77 2.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.6 m -74.98 156.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 44.7 t -52.1 161.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 92.4 m -92.65 -37.01 12.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 13.8 t0 -67.13 -68.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 p -87.33 -58.74 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.03 54.77 0.48 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.62 149.45 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -59.8 111.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.0 mt -88.28 10.76 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -50.83 -57.02 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -92.29 -50.34 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -50.73 -49.11 58.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.39 165.0 19.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -132.37 159.28 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 31.0 m-85 -123.92 167.43 14.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' C ' HG21 ' A' ' 59' ' ' VAL . 15.1 m-85 -109.12 110.93 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.416 HG21 ' C ' ' A' ' 58' ' ' PHE . 74.0 t -140.8 116.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 57.6 41.12 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.17 32.0 17.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.39 177.64 7.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.418 HD11 ' NH1' ' A' ' 37' ' ' ARG . 24.3 pt -125.8 141.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 55.7 m-85 -148.64 166.41 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.1 p -80.54 143.89 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.55 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 42.1 tt0 -35.48 -45.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -54.2 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 11.1 m80 -60.99 -55.06 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.64 -51.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -56.45 -48.48 76.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' HIS . 34.8 mt-10 -57.09 -40.38 76.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.46 -49.06 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.4 t -62.69 -57.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.3 m -100.31 107.75 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.1 160.21 8.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 142.7 48.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -61.15 -57.46 12.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -52.71 129.15 28.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.507 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 m -142.86 156.06 44.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -153.88 167.02 31.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.83 166.44 33.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.556 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -121.57 112.27 18.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -111.88 168.15 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.95 155.34 6.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -154.13 154.73 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.8 pt -99.13 134.34 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.59 -115.23 5.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -117.63 145.46 44.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.96 132.97 39.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -118.54 126.58 52.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -113.35 132.58 55.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.547 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.26 158.68 76.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.565 0.698 . . . . 0.0 110.933 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.68 110.75 2.61 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.03 128.28 23.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.84 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.08 -29.69 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 25.5 tptt -69.41 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 -67.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.96 53.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 p -138.24 138.97 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.69 110.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.567 HG21 ' CD2' ' A' ' 29' ' ' PHE . 96.6 mt -68.51 102.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 p -104.65 108.41 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.95 -158.77 14.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 29' ' ' PHE . 3.7 p -55.06 138.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD2' HG21 ' A' ' 25' ' ' ILE . 6.8 p90 -158.61 166.11 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.23 103.75 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.584 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.9 tmtm? -76.03 113.02 13.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 56' ' ' HIS . 91.6 mt -81.86 165.29 20.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' LEU . 43.3 mtt180 -32.0 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.99 5.01 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 28.5 mmm-85 -122.76 174.47 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 76.1 m80 -133.72 144.72 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 37' ' ' ARG . 10.6 mtt-85 -149.75 159.72 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.464 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 10.2 m80 -68.45 163.77 50.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.5 Cg_endo -69.83 -13.56 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -113.38 -25.41 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 73.3 m -79.42 -5.77 55.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 17.3 t80 -73.73 9.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.424 ' H ' ' C ' ' A' ' 41' ' ' CYS . 32.7 m -80.81 157.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.161 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.77 153.95 4.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.509 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 26.6 m -86.97 -33.91 19.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 3.7 t70 -67.76 -66.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.68 -62.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.88 54.0 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.3 t -107.66 148.63 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -58.6 109.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 mt -88.11 14.81 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.48 -54.28 45.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.63 -49.4 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -48.63 -56.55 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.64 155.44 9.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.559 ' CE1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -114.31 153.9 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -122.47 166.19 15.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.436 ' C ' HG23 ' A' ' 59' ' ' VAL . 21.5 m-85 -113.37 110.72 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.436 HG23 ' C ' ' A' ' 58' ' ' PHE . 71.5 t -141.43 121.86 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 52.44 41.3 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 62.22 32.06 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -132.31 175.15 9.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.4 pt -122.71 138.9 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.575 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 52.4 m-85 -148.94 172.64 14.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' GLU . 22.5 p -88.88 144.15 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.6 tt0 -35.48 -43.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -54.34 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.8 m170 -67.81 -56.03 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.2 -59.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -48.07 -45.23 32.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.51 -34.4 77.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.575 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 13.7 mtp85 -69.21 -55.21 11.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p -62.68 -34.37 65.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 t -74.89 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.87 123.67 0.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -13.31 34.61 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.317 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 m -123.64 111.16 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -94.98 126.49 40.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.071 -0.849 . . . . 0.0 112.497 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -152.09 144.86 24.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -129.97 138.7 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.16 49.05 64.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -111.83 -37.78 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -150.97 115.12 5.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.48 135.74 2.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.6 p -109.08 142.21 40.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 mt -137.26 151.03 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.61 91.74 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -146.41 123.4 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.16 -44.49 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -65.96 159.26 26.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.35 175.23 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -105.98 150.73 39.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.76 109.2 2.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.71 144.07 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.7 t -86.82 121.48 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.89 -33.17 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' CE ' ' O ' ' A' ' 41' ' ' CYS . 6.3 tppt? -65.62 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -88.21 -65.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.53 41.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.8 p -128.06 131.23 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.72 111.65 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.434 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 29' ' ' PHE . 11.5 mt -68.09 150.89 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -133.7 123.44 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.89 -144.11 23.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.55 136.78 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 3.6 p90 -167.81 163.04 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.29 101.99 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HE3' ' CE1' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -83.03 103.8 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.535 HD22 ' CZ ' ' A' ' 37' ' ' ARG . 1.8 mm? -82.36 162.55 22.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 41.6 mtt180 -33.3 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.99 11.98 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 18.9 mmt180 -128.77 174.48 9.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.482 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . 75.9 m80 -138.53 152.7 48.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.535 ' CZ ' HD22 ' A' ' 32' ' ' LEU . 16.0 mtm-85 -157.09 174.89 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.446 ' CE1' HG12 ' A' ' 25' ' ' ILE . 18.6 m80 -94.08 160.14 32.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 5.8 pt-20 -116.88 -32.93 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 55.2 m -76.26 -23.83 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -43.77 -21.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.3 m -53.48 149.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.6 t -52.02 157.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.487 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 96.5 m -92.89 -33.48 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.3 m-20 -68.67 -61.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.37 -59.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.71 53.75 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.4 t -113.93 148.19 37.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.42 113.67 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.1 mt -94.3 14.24 20.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -41.26 -59.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 54' ' ' LYS . 14.6 mm100 -97.42 -55.72 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.3 mttm -32.84 -66.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.79 166.24 11.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -133.13 170.67 15.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -140.36 155.23 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.426 ' C ' HG23 ' A' ' 59' ' ' VAL . 4.8 m-85 -97.7 113.72 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG23 ' C ' ' A' ' 58' ' ' PHE . 61.0 t -140.71 118.34 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 54.09 40.51 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.38 31.95 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -133.93 177.66 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.518 HG21 ' CZ ' ' A' ' 37' ' ' ARG . 7.1 pt -126.09 139.91 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 78.9 m-85 -147.71 168.29 22.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' GLU . 25.1 p -81.26 139.57 35.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' CYS . 24.9 tt0 -35.15 -41.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' ALA . 4.3 m80 -64.67 -55.39 20.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.44 -61.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -45.68 -50.1 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.8 -40.38 75.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.8 t -44.38 -59.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.3 t -64.93 176.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -129.09 146.04 16.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -43.49 2.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -144.67 148.16 33.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -69.47 167.63 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -139.41 115.33 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -76.95 148.26 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.45 133.05 5.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -92.95 154.88 17.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -70.09 174.18 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.33 132.97 8.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -127.53 130.31 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -120.75 137.41 54.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.12 -124.19 3.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.503 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -103.23 129.1 50.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.81 -44.58 40.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -140.68 143.37 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -97.4 17.96 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.39 137.97 13.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' O ' ' CG1' ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.76 94.16 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.644 2.229 . . . . 0.0 112.376 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.7 ptm -59.99 126.84 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.5 t -52.17 144.02 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -83.67 -35.19 24.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 30.7 tptt -60.61 -67.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 p -79.63 -62.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -136.18 146.3 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 116.0 5.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.499 HG21 ' CD2' ' A' ' 29' ' ' PHE . 89.8 mt -72.14 135.98 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.485 ' N ' HG22 ' A' ' 25' ' ' ILE . 8.6 p -130.63 118.42 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -135.42 12.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.37 144.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CD2' HG21 ' A' ' 25' ' ' ILE . 22.1 p90 -168.21 161.7 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.2 102.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.581 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.62 109.01 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' ARG . 86.5 mt -81.55 164.06 22.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 32' ' ' LEU . 2.1 mpt_? -32.02 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 18.1 t70 -117.98 10.57 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 31.6 mmt180 -129.34 174.49 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.581 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 58.7 m80 -139.41 137.19 35.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -143.96 169.67 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.507 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 15.1 m80 -77.96 163.33 63.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.6 Cg_endo -69.72 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -115.31 -29.61 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.4 m -79.67 -5.79 55.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 20.4 t80 -74.43 8.73 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -78.73 167.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -59.27 150.37 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.408 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 94.9 m -84.04 -32.85 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 9.9 t70 -69.21 -66.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.56 -64.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.59 54.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -108.55 150.14 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -57.4 114.58 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 34.0 mt -98.64 13.19 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.4 -59.23 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -93.35 -47.47 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -44.25 -62.79 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.43 154.03 8.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -122.33 153.75 38.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -126.98 170.5 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' C ' HG22 ' A' ' 59' ' ' VAL . 10.8 m-85 -112.38 116.41 30.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 58' ' ' PHE . 61.4 t -144.31 114.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 58.09 40.31 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 64.15 32.07 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -133.36 176.61 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.8 pt -124.98 135.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 69.1 m-85 -142.31 176.18 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 2.9 p -95.15 141.28 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 65' ' ' CYS . 41.1 tt0 -32.71 -39.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 tmtp? -55.58 -58.66 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' GLU . 12.3 m170 -73.83 -48.96 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.66 -61.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 70' ' ' ARG . 6.8 ptt180 -50.54 -25.74 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' HIS . 47.5 mt-10 -87.37 -22.14 25.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 17.3 mtp85 -87.85 -34.64 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.6 m -59.17 -48.68 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 p -87.12 164.43 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.76 -131.24 0.24 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 151.39 69.34 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.248 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.7 p -48.46 -46.2 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -95.78 145.17 25.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.523 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -62.0 141.48 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 t -87.27 167.56 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.56 61.11 0.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 m -102.92 176.0 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.806 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -84.92 -51.74 6.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.71 -75.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -140.39 157.84 44.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' GLY . 38.4 pt -110.53 143.44 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . 35.5 -124.92 0.7 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -120.78 156.27 32.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.09 110.85 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.501 ' C ' ' CG ' ' A' ' 14' ' ' LYS . 18.0 pt20 -141.66 154.45 45.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' CG ' ' C ' ' A' ' 13' ' ' GLN . 1.1 ptpt 47.56 37.3 6.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 22.4 mt -122.95 148.93 55.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 109.65 2.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mtt -61.46 132.53 53.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.11 147.19 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' HB3' ' CG ' ' A' ' 37' ' ' ARG . 36.0 t0 -84.73 -32.21 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 18.0 tptp -69.83 -69.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.73 -65.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.6 48.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.9 p -130.06 134.46 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.163 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.88 108.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 29' ' ' PHE . 57.3 mt -66.8 144.78 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.71 118.61 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.67 -128.99 9.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.425 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 p -73.45 141.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.476 ' HB3' ' CG2' ' A' ' 25' ' ' ILE . 31.2 p90 -164.93 157.77 16.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.4 t -91.95 102.07 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 2.9 tmtp? -75.3 102.05 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' CD1' ' NH1' ' A' ' 37' ' ' ARG . 22.8 mt -96.11 169.96 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.619 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.9 mmt-85 -51.97 124.97 14.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.8 m-20 32.66 28.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 33' ' ' ARG . 24.9 mmt180 -137.88 173.25 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -149.97 129.84 13.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 8.6 mtt85 -143.65 165.47 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.8 m80 -80.01 161.69 64.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.7 Cg_endo -69.74 -9.69 26.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.91 -24.42 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.484 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 71.9 m -82.02 -3.85 55.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 12.6 t80 -73.43 5.5 3.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -73.22 159.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.34 153.38 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.451 HG21 ' NE2' ' A' ' 62' ' ' GLN . 85.5 m -87.68 -34.59 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 20.2 t0 -67.21 -66.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.3 -62.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.84 54.81 0.25 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -111.09 148.86 31.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -57.08 116.4 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.0 mt -97.5 11.81 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -56.49 -58.95 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -85.59 -59.6 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -46.45 -45.39 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.17 168.71 20.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.26 159.89 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -129.17 154.97 46.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.33 112.36 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.52 112.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 60.39 42.42 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.21 32.04 19.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.451 ' NE2' HG21 ' A' ' 45' ' ' THR . 16.3 mt-30 -134.04 178.03 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.91 137.71 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 58.7 m-85 -143.39 174.47 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' GLU . 20.8 p -88.94 145.29 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' CYS . 34.7 tt0 -36.21 -42.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -57.41 -58.69 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 4.7 m170 -65.73 -60.4 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -37.88 -39.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -67.01 -44.98 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' HIS . 5.8 pt-20 -70.48 -29.49 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.559 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 14.2 mtp85 -65.39 -50.53 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.4 t -59.81 -57.98 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -102.58 127.38 49.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.17 -142.63 10.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 178.19 4.81 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.67 2.246 . . . . 0.0 112.384 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.8 p -125.84 131.67 52.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -84.2 147.11 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.524 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m -81.74 143.07 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -137.41 162.54 33.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.05 -115.72 0.66 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 p 51.97 39.76 26.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -117.25 134.37 54.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.47 139.98 3.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.5 p -59.02 -47.36 85.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 tt -131.29 118.2 39.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.7 90.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -138.52 139.59 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' CB ' HD23 ' A' ' 15' ' ' LEU . . . -72.24 165.42 24.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -73.63 -62.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -123.22 136.61 54.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD23 ' CB ' ' A' ' 12' ' ' ALA . 10.4 mt -145.66 143.57 20.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 94.35 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -53.49 128.74 29.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.0 t -52.14 158.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -98.91 -42.75 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -60.58 -60.7 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 p -90.0 -58.06 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.25 58.05 0.5 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -137.52 142.86 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.85 110.52 0.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 26' ' ' VAL . 95.9 mt -67.36 142.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.484 ' N ' HG22 ' A' ' 25' ' ' ILE . 7.5 p -136.35 129.5 46.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.23 -136.53 17.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.96 143.83 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.454 ' CB ' HG21 ' A' ' 25' ' ' ILE . 21.8 p90 -168.03 165.86 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.2 t -95.9 107.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.567 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -84.04 123.1 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 56' ' ' HIS . 78.3 mt -98.88 165.87 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.04 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -118.08 -2.74 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.9 mmm180 -113.83 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 62.1 m80 -143.05 147.23 34.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -148.57 175.5 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.452 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 11.7 m80 -84.9 163.11 47.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 54.0 Cg_endo -69.75 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -115.01 -28.6 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.2 m -76.75 -28.58 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -44.18 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.426 ' HB ' ' C ' ' A' ' 48' ' ' GLY . 27.8 m -52.09 161.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 45' ' ' THR . 41.4 t -55.08 162.59 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.403 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 95.3 m -90.2 -38.65 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 9.8 t0 -65.9 -65.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.19 -61.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 113.98 50.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -103.34 149.55 24.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.44 117.47 4.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.2 mt -103.15 15.01 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -42.44 -55.87 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' LYS . 76.4 mt-30 -98.02 -58.44 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' GLN . 51.5 mttm -33.54 -48.71 0.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.68 168.66 19.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.542 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.57 ' CE1' HD22 ' A' ' 32' ' ' LEU . 3.3 p-80 -133.19 156.21 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.553 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 40.8 m-85 -118.97 166.74 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -113.69 111.56 22.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.637 HG12 ' CD2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -154.04 126.48 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 59.38 40.28 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 t70 54.97 31.98 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -135.5 178.0 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.557 HG23 ' CD2' ' A' ' 56' ' ' HIS . 5.2 pt -128.9 130.96 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.637 ' CD2' HG12 ' A' ' 59' ' ' VAL . 7.3 m-85 -133.12 176.58 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' LYS . 15.7 p -89.98 141.12 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.553 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 51.7 tt0 -32.05 -36.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 13.2 ttmm -63.76 -58.59 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 29.7 m170 -69.45 -43.94 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.413 ' HB3' ' CB ' ' A' ' 57' ' ' PHE . . . -48.53 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 21.3 ptt180 -49.93 -37.03 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 34.1 mt-10 -67.6 -39.1 84.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -76.16 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.6 t -45.18 -48.28 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.1 t -82.17 132.29 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.43 -153.04 23.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 -30.35 22.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -81.34 174.58 11.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.6 p -79.04 134.05 36.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.437 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p -58.98 137.35 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -93.32 -52.63 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.14 -177.69 18.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -125.17 155.23 40.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -92.27 -56.79 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.76 115.24 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.1 t -78.76 -56.7 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -100.26 145.03 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.26 154.8 22.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.51 153.33 35.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' GLN . . . -95.26 -41.23 9.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' ALA . 14.9 mm-40 -36.15 -40.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -59.03 139.62 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.542 ' HB3' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -72.62 158.82 86.74 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.72 109.85 2.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.361 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 22' ' ' GLY . 5.2 mtt -52.04 125.75 16.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 2.9 t -60.72 153.66 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.01 -47.75 60.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -56.18 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -68.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 17' ' ' MET . . . 102.12 44.4 1.89 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.426 ' O ' ' HE2' ' A' ' 17' ' ' MET . 6.8 p -97.99 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 111.121 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.52 97.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.614 HG22 ' CB ' ' A' ' 29' ' ' PHE . 60.4 mt -55.81 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.04 130.38 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -147.34 45.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 p -52.0 149.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CB ' HG22 ' A' ' 25' ' ' ILE . 16.6 p90 -165.54 175.81 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.0 t -118.03 102.03 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.591 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.6 tmtt? -76.46 115.14 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 56' ' ' HIS . 79.1 mt -80.99 166.43 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -31.96 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' O ' ' NE ' ' A' ' 35' ' ' ARG . 75.9 m-20 -117.92 9.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 34' ' ' ASP . 16.1 mmp_? -128.38 173.73 9.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.591 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 60.6 m80 -131.97 146.23 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' NH2' HG12 ' A' ' 63' ' ' ILE . 11.2 mtt180 -153.06 147.4 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 22.2 m170 -56.86 161.07 5.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.78 -7.41 21.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -117.64 -23.93 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' C ' ' H ' ' A' ' 43' ' ' VAL . 99.0 m -82.18 -8.28 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -70.94 5.39 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' H ' ' C ' ' A' ' 41' ' ' CYS . 30.8 m -78.63 159.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -54.58 152.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.444 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 90.4 m -85.83 -32.39 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.475 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.6 t0 -69.15 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -94.77 -64.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.74 54.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -104.89 148.75 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.74 107.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.4 mt -90.52 11.88 20.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -46.95 -55.96 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.86 -56.21 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -39.84 -48.52 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 163.42 19.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.513 ' CE1' HD23 ' A' ' 32' ' ' LEU . 6.1 p-80 -126.89 164.31 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -126.95 167.2 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.438 ' C ' HG22 ' A' ' 59' ' ' VAL . 13.2 m-85 -113.25 110.49 20.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.438 HG22 ' C ' ' A' ' 58' ' ' PHE . 60.3 t -141.13 118.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t70 62.79 32.04 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -132.93 174.34 10.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG12 ' NH2' ' A' ' 37' ' ' ARG . 11.9 pt -123.51 140.33 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.444 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 58.9 m-85 -148.37 175.23 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 68' ' ' HIS . 26.7 p -94.89 141.07 29.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' CYS . 43.2 tt0 -33.52 -40.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -57.74 -49.59 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 65' ' ' CYS . 9.4 m170 -81.88 -52.76 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -43.94 -54.94 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -51.54 -34.63 37.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -72.53 -31.71 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 74' ' ' SER . 29.9 mtp85 -73.54 -48.88 29.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -36.13 -31.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ARG . 15.1 t -43.84 -47.01 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 126.95 148.55 7.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 154.14 68.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.1 p -82.08 158.68 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.6 p -52.1 123.25 10.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.484 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -147.6 149.89 33.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -149.19 144.42 26.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.58 -101.72 2.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 55.91 42.08 29.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -127.52 147.35 50.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.75 135.83 4.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -80.79 143.51 32.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -108.56 -37.6 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.11 -179.63 1.12 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.479 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -121.42 123.74 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.51 135.1 22.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.082 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 62.23 41.75 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 145.33 45.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.33 147.95 97.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 54.0 Cg_endo -69.77 105.56 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.96 115.32 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 19' ' ' ASP . 33.9 t -52.05 161.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 1.1 t0 -97.97 -45.26 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.01 -58.53 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -95.53 -63.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.38 69.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.0 p -157.53 132.37 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.155 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.1 122.34 3.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.476 HG12 ' NE2' ' A' ' 38' ' ' HIS . 14.8 mt -80.53 161.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.8 p -131.75 123.88 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.38 -139.91 26.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.35 132.54 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.511 ' CZ ' ' HG3' ' A' ' 16' ' ' PRO . 3.1 p90 -165.33 157.57 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.563 HG21 ' CA ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -80.05 131.68 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -112.74 102.84 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' ARG . 58.5 mt -81.03 166.85 20.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -31.96 -73.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.98 9.06 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.3 mmt85 -130.08 173.82 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.573 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 36.0 m80 -137.46 153.38 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.563 ' CA ' HG21 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -147.59 165.04 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.476 ' NE2' HG12 ' A' ' 25' ' ' ILE . 26.9 m80 -79.41 158.21 74.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.1 27.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.323 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -112.97 -22.47 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.45 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 87.5 m -83.12 -29.83 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -43.46 -22.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.8 m -52.33 155.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.06 138.99 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.433 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 17.1 m -75.41 -26.95 58.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.603 ' OD1' ' CE1' ' A' ' 68' ' ' HIS . 11.1 t70 -71.57 -66.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.03 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.4 49.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -108.53 137.87 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -57.53 116.27 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 16.5 mt -93.19 9.41 36.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -45.11 -49.9 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -97.87 -54.72 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -45.23 -50.66 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.68 153.76 11.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 56' ' ' HIS . 2.0 p-80 -114.02 145.72 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 14.4 m-85 -112.25 150.31 31.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.433 ' C ' HG21 ' A' ' 59' ' ' VAL . 19.8 m-85 -96.13 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.433 HG21 ' C ' ' A' ' 58' ' ' PHE . 94.3 t -142.57 111.28 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 59.08 42.76 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 62.46 32.02 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -132.42 171.49 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.494 ' CD1' ' CZ ' ' A' ' 37' ' ' ARG . 6.6 pt -121.57 138.16 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.433 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 80.9 m-85 -147.12 174.1 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.1 p -90.55 150.87 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -42.44 -42.49 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.13 -66.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.603 ' CE1' ' OD1' ' A' ' 46' ' ' ASP . 6.0 m80 -61.8 -56.81 15.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.58 -61.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -43.09 -47.62 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -60.9 -37.47 82.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -69.48 -56.55 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 p -58.31 -29.67 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.3 t -74.61 -42.92 57.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.91 -156.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 134.39 27.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.385 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -165.87 152.82 9.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.4 m -153.98 164.11 38.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.486 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -127.7 136.42 51.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -161.89 160.67 28.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.72 91.71 1.51 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -52.48 150.74 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -157.42 164.48 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.86 42.41 0.59 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.4 m -86.67 -48.34 8.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.4 pt -77.01 135.61 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.12 -57.3 0.42 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.536 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -62.28 106.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.96 168.04 19.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -124.32 166.71 15.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 146.7 23.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt -138.83 146.2 49.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtt -52.45 135.27 33.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.54 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 48.9 t -54.78 149.74 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -28.07 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -70.83 -65.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.5 p -91.93 -54.02 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.56 72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.3 p -154.0 132.86 12.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.26 131.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.552 HG22 ' CG ' ' A' ' 29' ' ' PHE . 97.2 mt -94.99 148.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 ' N ' HG23 ' A' ' 25' ' ' ILE . 11.7 p -143.85 138.97 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 64.58 -143.54 47.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.46 133.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CG ' HG22 ' A' ' 25' ' ' ILE . 3.2 p90 -166.04 159.36 15.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.546 HG22 ' CA ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -78.9 128.25 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -111.44 104.9 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' A' ' 56' ' ' HIS . 28.0 mt -85.47 167.39 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' LEU . 63.4 mtt85 -31.96 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -117.89 4.85 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.7 mmt85 -123.71 171.58 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 9.0 m80 -140.79 148.55 40.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.546 ' CA ' HG22 ' A' ' 30' ' ' VAL . 4.5 mtm-85 -145.43 170.17 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 19.5 m80 -82.58 159.81 63.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.59 34.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.718 2.278 . . . . 0.0 112.316 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -112.28 -17.84 12.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 43' ' ' VAL . 85.1 m -92.41 3.03 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.439 ' HB2' HG11 ' A' ' 30' ' ' VAL . 19.1 t80 -78.07 17.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.428 ' H ' ' C ' ' A' ' 41' ' ' CYS . 31.5 m -81.64 154.31 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.0 t -55.88 127.45 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -61.41 -29.83 70.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.429 ' OD2' ' CE1' ' A' ' 68' ' ' HIS . 10.5 t0 -69.76 -67.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.81 -63.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 124.16 52.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -112.56 140.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -54.59 109.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -90.04 10.93 22.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -43.87 -58.28 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.35 -42.85 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -52.86 -44.62 66.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.82 149.88 25.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.57 ' CE1' HD23 ' A' ' 32' ' ' LEU . 13.5 p-80 -111.28 164.34 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 8.3 m-85 -127.05 168.62 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.447 ' C ' HG21 ' A' ' 59' ' ' VAL . 8.3 m-85 -111.98 113.05 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.447 HG21 ' C ' ' A' ' 58' ' ' PHE . 57.9 t -140.73 119.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 52.22 44.38 29.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 61.0 32.05 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 27.0 mt-30 -133.43 177.18 7.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.45 HD12 ' NH2' ' A' ' 37' ' ' ARG . 6.6 pt -124.97 147.28 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -156.13 172.06 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.5 p -86.7 138.35 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.8 tt0 -32.69 -45.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -65.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' ALA . 8.1 m170 -63.47 -54.74 31.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' ARG . . . -33.87 -64.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -39.35 -46.65 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.38 -36.39 80.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 69' ' ' ALA . 26.3 mtt85 -78.04 -58.25 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.38 -27.32 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 t -137.63 118.46 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.64 156.84 22.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.65 3.31 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.62 -52.44 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -66.16 165.05 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.438 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -163.17 156.25 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -153.46 135.28 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.56 143.5 17.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 m -130.55 135.18 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.5 m -91.28 159.5 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.72 98.22 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -60.73 132.87 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' C ' HD13 ' A' ' 9' ' ' ILE . 2.7 pp -106.06 166.24 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.82 51.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -151.77 118.11 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.372 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.86 166.01 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.9 163.09 20.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -82.86 18.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 mt -122.16 138.45 28.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 53.6 Cg_endo -69.77 112.6 3.12 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mtt -64.59 115.63 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 9.0 t -57.3 143.75 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 16.6 t0 -79.73 -36.5 37.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 8.1 tptp -59.28 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.6 -69.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.65 56.31 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 p -141.27 131.38 24.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.03 123.54 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.587 HG12 ' CD2' ' A' ' 38' ' ' HIS . 6.4 mt -84.0 154.98 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.74 120.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -134.58 16.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.77 134.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 16' ' ' PRO . 3.1 p90 -168.04 153.13 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.577 HG23 ' CA ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -76.03 135.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.583 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -116.77 102.39 9.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' ARG . 88.6 mt -81.6 167.48 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -31.96 -73.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.97 7.24 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.4 mmt180 -127.24 174.52 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.583 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 23.2 m80 -139.48 152.17 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.577 ' CA ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -145.98 166.02 27.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.587 ' CD2' HG12 ' A' ' 25' ' ' ILE . 25.1 m80 -78.6 156.55 77.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -5.99 17.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.72 -25.12 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 75.7 m -81.44 -26.8 35.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.405 ' HB2' HG11 ' A' ' 30' ' ' VAL . 29.3 t80 -45.34 -21.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -54.3 154.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.4 t -51.94 145.9 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.6 m -82.31 -28.88 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 20.1 t0 -73.04 -64.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 p -92.65 -66.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.11 44.94 0.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.53 139.2 41.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -55.53 114.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 mt -87.23 14.27 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -50.88 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -90.42 -43.39 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.02 -42.86 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.68 145.27 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.496 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 1.4 p-80 -108.15 161.66 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 11.3 m-85 -128.36 171.39 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' C ' HG22 ' A' ' 59' ' ' VAL . 25.7 m-85 -114.59 109.97 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.401 HG22 ' C ' ' A' ' 58' ' ' PHE . 96.8 t -141.19 113.45 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 58.63 41.67 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t0 62.75 32.01 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.46 176.52 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 7.0 pt -126.85 134.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -142.87 171.33 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.3 p -85.48 144.85 27.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -37.68 -43.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -55.33 -64.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.5 m170 -63.98 -55.92 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.35 -65.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -39.95 -50.29 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -55.21 -40.3 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 73' ' ' VAL . 55.4 mtt85 -71.68 -50.59 29.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 72' ' ' ARG . 86.4 t -32.57 -60.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' GLY . 35.4 t -56.81 139.22 51.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' SER . . . -36.69 120.24 0.62 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 172.5 12.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.4 m -63.87 -52.51 59.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 m -145.67 106.19 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.493 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.633 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.118 0 CA-C-O 120.765 0.235 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 ptm -59.44 130.54 47.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 42.1 t -54.48 158.7 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -98.15 -41.92 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -54.32 -59.31 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.24 -56.92 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.12 56.54 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -141.29 142.16 33.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.55 119.74 6.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 16' ' ' PRO . 74.3 mt -80.2 153.58 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.415 ' N ' HG22 ' A' ' 25' ' ' ILE . 4.9 p -147.72 130.55 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.29 -137.57 16.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.7 p -67.4 139.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.512 ' HB3' HG21 ' A' ' 25' ' ' ILE . 17.4 p90 -164.97 170.74 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 39' ' ' PRO . 32.5 t -108.17 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.28 123.8 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD22 ' CE1' ' A' ' 56' ' ' HIS . 57.6 mt -92.56 166.35 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 9.1 ttt180 -31.97 -72.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.02 -1.99 11.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 26.8 mmm180 -117.05 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.601 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 44.9 m80 -137.14 147.43 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' NH1' HD13 ' A' ' 63' ' ' ILE . 20.8 mtt85 -147.09 167.42 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 25' ' ' ILE . 15.4 m80 -78.52 161.88 68.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.732 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.77 -10.59 28.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.9 pt-20 -112.16 -26.25 8.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' VAL . 71.0 m -78.68 -28.63 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.62 ' O ' HD12 ' A' ' 51' ' ' LEU . 15.7 t80 -43.55 -22.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 40' ' ' GLU . 14.1 m -54.56 159.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.47 154.81 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -88.03 -33.99 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.18 -65.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -93.83 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.25 51.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.7 t -100.77 146.31 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.102 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -61.91 104.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 42' ' ' TYR . 27.8 mt -84.38 12.88 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -50.16 -56.95 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -93.66 -48.36 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -50.73 -51.89 45.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.05 165.4 19.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.491 ' CE1' HD22 ' A' ' 32' ' ' LEU . 1.5 p-80 -120.14 152.72 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 8.9 m-85 -115.95 164.94 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -110.47 110.36 21.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.475 HG11 ' HB3' ' A' ' 72' ' ' ARG . 96.8 t -141.26 114.62 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 58.26 41.56 23.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 62.07 32.02 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -132.97 176.59 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.406 HD13 ' NH1' ' A' ' 37' ' ' ARG . 20.2 pt -126.63 135.94 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.41 170.38 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' HIS . 25.1 p -85.47 138.53 32.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.8 tt0 -33.41 -36.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' CYS . 39.4 tttp -61.73 -49.78 75.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.5 m80 -81.99 -49.74 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 73' ' ' VAL . . . -44.57 -57.36 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 2.2 ptm85 -48.78 -42.63 36.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 6.9 mm-40 -63.43 -37.22 86.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HB3' HG11 ' A' ' 59' ' ' VAL . 77.1 mtt-85 -74.46 -58.05 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 69' ' ' ALA . 6.8 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.422 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.773 0.239 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -61.24 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -52.01 156.89 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.98 -39.06 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -65.2 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -82.23 -53.92 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.65 65.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.5 p -144.62 145.99 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.15 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 112.84 2.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.49 HG12 ' CE1' ' A' ' 38' ' ' HIS . 62.3 mt -74.4 153.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.5 p -151.1 126.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.55 -135.9 14.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.51 140.44 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.433 ' HB3' HG21 ' A' ' 25' ' ' ILE . 6.9 p90 -167.63 161.92 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.3 t -92.37 102.04 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -77.05 104.99 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD11 HH11 ' A' ' 37' ' ' ARG . 78.8 mt -82.69 165.02 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' LEU . 61.2 mtt180 -32.1 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -118.01 12.33 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -128.8 174.79 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.545 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.6 m80 -140.84 143.83 35.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.497 HH11 HD11 ' A' ' 32' ' ' LEU . 10.8 mtt85 -149.76 166.86 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.49 ' CE1' HG12 ' A' ' 25' ' ' ILE . 26.8 m80 -79.05 162.04 66.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.85 -9.8 26.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.43 -28.03 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 43' ' ' VAL . 67.5 m -79.72 -2.24 42.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.512 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 12.6 t80 -69.85 6.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.779 HG12 ' HA ' ' A' ' 50' ' ' ASN . 29.4 m -72.65 160.84 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.583 ' HA ' HD11 ' A' ' 51' ' ' LEU . 50.5 t -53.82 162.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.7 m -97.57 -35.29 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 16.7 t0 -66.58 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -95.6 -56.95 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.09 51.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.4 145.31 31.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.779 ' HA ' HG12 ' A' ' 43' ' ' VAL . 10.9 t-20 -55.22 107.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 44' ' ' CYS . 28.1 mt -90.58 14.38 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -50.35 -49.77 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' LYS . 37.0 mt-30 -97.54 -60.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLN . 28.3 mtpt -35.74 -66.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.88 168.08 12.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 4.0 p-80 -130.48 154.01 48.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 7.4 m-85 -124.53 166.07 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -109.5 110.83 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.4 t -140.04 115.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 58.26 41.89 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 61.49 32.47 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -132.98 177.07 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.89 139.57 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -149.3 170.11 19.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.575 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.2 p -83.57 146.84 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -38.33 -48.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -60.97 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 71' ' ' GLU . 15.9 m170 -63.54 -62.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . . . -33.31 -45.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -61.66 -46.55 89.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 68' ' ' HIS . 4.0 pt-20 -71.46 -29.21 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -69.21 -47.09 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.79 0.246 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 mtp -62.33 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.52 157.89 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -102.57 -33.77 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 5.5 tmtm? -67.46 -63.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.03 -51.52 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.52 70.44 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.0 p -155.17 133.55 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.49 123.76 4.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 29' ' ' PHE . 58.3 mt -85.15 151.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -147.78 126.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.72 -135.83 13.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.14 136.13 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CB ' HG21 ' A' ' 25' ' ' ILE . 20.0 p90 -163.11 160.62 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 39' ' ' PRO . 40.3 t -92.14 102.04 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.26 111.5 10.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' ARG . 92.9 mt -81.93 165.2 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 10.4 ttt180 -32.05 -72.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.0 8.74 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.7 mmm180 -129.0 174.81 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.6 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 46.2 m80 -136.82 139.93 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.933 ' NH1' HD11 ' A' ' 63' ' ' ILE . 24.4 mtt180 -140.5 164.11 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CE1' HG12 ' A' ' 25' ' ' ILE . 37.2 m80 -74.15 160.16 82.22 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.437 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.4 Cg_endo -69.74 -9.09 25.26 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.71 -22.31 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' VAL . 85.0 m -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 51' ' ' LEU . 15.8 t80 -45.26 -19.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' C ' ' A' ' 41' ' ' CYS . 19.4 m -52.05 159.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.31 161.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.423 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 41.9 m -94.04 -37.05 11.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 14.1 t0 -64.69 -65.51 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -93.19 -59.52 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.77 52.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.5 t -106.29 151.02 25.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.403 ' HA ' HG12 ' A' ' 43' ' ' VAL . 23.5 m120 -61.62 116.18 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 65' ' ' CYS . 37.7 mt -98.67 1.51 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -42.48 -52.71 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 54' ' ' LYS . 10.3 mm100 -92.81 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' GLN . 40.4 mttp -36.07 -62.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.57 162.66 11.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -126.59 152.63 46.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -114.7 170.75 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -113.1 110.55 20.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -140.4 120.39 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 53.05 42.76 32.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 t0 61.25 31.97 19.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.96 177.64 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.933 HD11 ' NH1' ' A' ' 37' ' ' ARG . 9.9 pt -124.97 139.97 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 68.3 m-85 -150.06 162.27 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.7 p -77.64 142.09 39.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.0 tt0 -34.97 -44.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -55.67 -62.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ALA . 5.2 m170 -63.21 -54.43 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -35.22 -64.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -45.68 -43.85 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.13 -28.8 69.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -80.59 -55.99 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 69' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.494 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.774 0.239 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -60.5 130.29 45.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 41.8 t -52.02 156.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -96.86 -44.49 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -55.96 -64.39 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' HG ' ' HG ' ' A' ' 18' ' ' CYS . 2.0 p -83.34 -57.82 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.34 65.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 p -150.42 139.99 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.5 119.11 6.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' PHE . 78.5 mt -76.72 142.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.7 p -137.02 119.43 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.06 -130.72 10.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.03 142.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.727 ' HB3' HG21 ' A' ' 25' ' ' ILE . 32.3 p90 -168.39 168.04 11.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.84 104.96 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 6.8 tmtt? -76.99 112.43 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.606 HD11 HH11 ' A' ' 37' ' ' ARG . 89.7 mt -81.83 166.78 19.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.01 -72.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -117.99 -1.24 11.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 17.9 mmt-85 -117.77 175.79 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.603 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 43.9 m80 -139.65 139.91 36.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.606 HH11 HD11 ' A' ' 32' ' ' LEU . 25.6 mtt85 -141.4 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 21.0 m80 -82.33 163.15 53.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.2 Cg_endo -69.78 -11.3 30.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -111.96 -26.87 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -85.44 -3.21 58.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 13.6 t80 -74.86 8.77 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.8 161.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -52.32 152.49 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.542 HG21 ' OE1' ' A' ' 62' ' ' GLN . 91.3 m -86.92 -34.85 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -92.62 -63.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.08 52.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -104.27 160.91 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 111.105 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.42 121.88 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -107.4 10.01 29.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -46.55 -51.05 16.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -97.98 -56.53 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -43.88 -48.6 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 157.56 26.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.662 ' ND1' HG22 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -114.28 159.09 20.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -119.02 161.18 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -103.14 114.41 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -142.86 115.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 55.95 42.36 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 61.73 31.96 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.542 ' OE1' HG21 ' A' ' 45' ' ' THR . 23.2 mt-30 -133.58 177.62 7.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.662 HG22 ' ND1' ' A' ' 56' ' ' HIS . 8.1 pt -127.15 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -149.49 173.63 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . 10.9 p -91.38 140.02 30.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 25.6 tt0 -33.97 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -56.36 -48.53 76.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 8.5 m170 -85.16 -49.35 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.677 ' O ' HG12 ' A' ' 73' ' ' VAL . . . -44.24 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 10.0 ptm180 -61.12 -35.76 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 38.2 mt-10 -75.19 -31.47 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -72.42 -57.64 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 69' ' ' ALA . 2.3 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.679 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.787 0.245 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ptp -56.51 139.03 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 49.1 t -62.27 134.29 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.96 -37.33 64.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 16.7 tptp -56.01 -65.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -68.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.42 61.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -149.38 133.43 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.02 125.37 2.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 16' ' ' PRO . 85.1 mt -84.85 142.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 26' ' ' VAL . 11.1 p -131.3 122.74 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.07 -143.87 18.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.67 145.0 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.67 ' HB3' HG21 ' A' ' 25' ' ' ILE . 8.5 p90 -166.5 169.82 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG12 HD22 ' A' ' 32' ' ' LEU . 77.4 t -98.99 102.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -78.19 104.21 8.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.65 HD22 HG12 ' A' ' 30' ' ' VAL . 4.2 mm? -82.23 162.67 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.6 mtt85 -32.61 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.07 11.99 13.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -128.72 174.67 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.586 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 78.0 m80 -143.2 135.78 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 46.7 mtt180 -141.64 169.71 17.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 12.4 m80 -77.02 162.16 70.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.8 Cg_endo -69.79 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.35 -28.19 6.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.2 m -82.03 -0.93 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 19.8 t80 -74.56 8.7 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 50' ' ' ASN . 33.4 m -82.67 156.2 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.95 156.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.491 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.4 m -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' CG ' ' NE2' ' A' ' 68' ' ' HIS . 7.1 t70 -67.12 -66.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.52 -60.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.89 49.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -103.05 152.93 20.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.44 ' HA ' HG12 ' A' ' 43' ' ' VAL . 14.6 m120 -69.91 111.01 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 65' ' ' CYS . 21.9 mt -88.4 15.54 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -46.0 -52.71 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.71 -37.66 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -49.4 -47.83 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.51 151.56 9.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.458 ' CE1' ' CD1' ' A' ' 32' ' ' LEU . 7.8 p-80 -121.67 166.24 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.44 149.21 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -95.18 111.66 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.496 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 84.1 t -141.53 108.81 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 64.24 39.98 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.94 31.98 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -133.74 176.3 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.47 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 10.6 pt -122.05 140.43 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 59' ' ' VAL . 29.8 m-85 -145.92 176.1 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.565 ' HB3' HD21 ' A' ' 51' ' ' LEU . 15.9 p -98.34 141.46 31.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.2 tt0 -33.22 -45.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -51.3 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.501 ' NE2' ' CG ' ' A' ' 46' ' ' ASP . 8.5 m80 -70.27 -55.41 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.53 -60.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -47.9 -45.76 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.53 -38.79 88.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -68.44 -56.87 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 69' ' ' ALA . 7.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.75 0.229 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -68.86 130.72 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 47.1 t -56.74 164.04 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.26 -43.25 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -66.08 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -75.92 -46.81 28.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 92.2 55.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -136.8 136.67 39.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.95 108.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' A' ' 29' ' ' PHE . 26.3 mt -67.37 137.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.8 p -130.96 117.29 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.73 -131.91 10.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.93 146.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.775 ' HB3' HG21 ' A' ' 25' ' ' ILE . 35.9 p90 -168.11 161.95 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -99.03 102.04 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.592 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.04 110.48 11.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 37' ' ' ARG . 52.4 mt -82.51 167.26 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.558 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 60.0 mtt180 -31.99 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -118.01 3.91 12.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.4 mmm180 -121.25 173.87 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.592 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 74.6 m80 -134.65 151.72 51.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 1.081 ' NH2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -156.34 169.79 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.3 m80 -85.08 163.92 43.65 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.555 0.693 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.7 -6.46 18.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' HG13 ' A' ' 43' ' ' VAL . 18.3 mt-10 -118.03 -30.59 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 43' ' ' VAL . 62.5 m -77.11 -2.07 32.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 8.7 t80 -74.52 14.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 40' ' ' GLU . 33.5 m -78.37 154.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.457 ' HB2' HD21 ' A' ' 51' ' ' LEU . 43.4 t -52.1 161.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -90.52 -38.98 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 7.7 t70 -65.12 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -90.17 -60.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.51 57.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -113.69 151.23 32.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -57.15 108.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 65' ' ' CYS . 28.1 mt -89.64 16.49 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 53' ' ' GLN . 4.6 tmmm? -58.9 -58.91 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' N ' ' HD2' ' A' ' 52' ' ' LYS . 52.4 mt-30 -79.52 -64.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -45.04 -59.02 2.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.41 171.14 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -128.76 156.4 43.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 12.3 m-85 -121.15 167.39 12.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 12.1 m-85 -112.83 110.84 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 63.1 t -140.31 120.08 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 55.98 43.81 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t0 59.37 32.01 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -132.78 176.07 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.081 HD13 ' NH2' ' A' ' 37' ' ' ARG . 6.6 pt -124.16 140.04 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -148.98 161.41 41.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.521 ' HB3' HD21 ' A' ' 51' ' ' LEU . 9.0 p -75.77 141.84 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 23.2 tt0 -34.33 -45.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.37 -61.91 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 9.0 m170 -61.14 -55.84 27.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.29 -62.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -45.53 -50.88 12.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -52.93 -42.36 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -63.18 -57.35 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.755 0.231 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 24' ' ' GLY . 1.8 mmt -59.52 141.02 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 t -72.78 135.34 45.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.9 -32.62 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 11.6 tptm -68.18 -63.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.99 -69.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.55 47.28 0.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.7 p -135.13 132.08 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' N ' ' SD ' ' A' ' 17' ' ' MET . . . -40.58 126.59 2.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.579 HG21 ' HB3' ' A' ' 29' ' ' PHE . 44.0 mt -87.54 154.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.4 p -144.18 130.93 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 79.08 -142.97 25.82 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.551 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.07 139.6 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.579 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.0 p90 -167.06 170.36 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.617 HG12 HD22 ' A' ' 32' ' ' LEU . 66.2 t -102.29 101.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.604 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -83.31 106.94 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.617 HD22 HG12 ' A' ' 30' ' ' VAL . 3.7 mm? -84.39 162.03 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.4 ttt-85 -32.26 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.05 12.49 13.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 35' ' ' ARG . 8.8 mmt180 -128.55 172.95 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.604 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.7 m80 -143.72 136.38 27.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 50.2 mtt180 -146.81 156.97 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.451 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.6 m80 -66.27 163.05 42.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.3 Cg_endo -69.8 -9.97 27.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.5 pt-20 -110.39 -31.4 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 61.2 m -75.9 -23.48 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.51 ' O ' HD12 ' A' ' 63' ' ' ILE . 13.5 t80 -43.51 -21.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 40' ' ' GLU . 17.3 m -52.49 157.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.03 151.61 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.446 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 88.5 m -88.25 -33.5 18.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.43 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 15.2 t0 -67.85 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -95.94 -63.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.37 46.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.7 t -101.55 142.07 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.97 109.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 28.7 mt -88.69 16.23 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.44 -47.33 84.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -98.58 -41.63 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -62.91 -56.18 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.19 159.85 10.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.448 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 9.7 p-80 -124.39 160.97 26.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.36 151.83 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -95.73 110.17 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 72' ' ' ARG . 60.9 t -140.87 115.25 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 58.26 40.96 24.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t70 62.66 32.03 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -133.41 173.6 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 42' ' ' TYR . 8.3 pt -120.66 140.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.446 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 60.6 m-85 -151.11 169.15 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.9 p -85.75 147.93 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -40.14 -43.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -55.6 -66.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.43 ' ND1' ' HB3' ' A' ' 46' ' ' ASP . 17.2 m170 -62.22 -56.55 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.34 -55.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -52.73 -45.64 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' HIS . 41.7 mt-10 -60.44 -35.52 76.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.531 ' HD3' HG11 ' A' ' 59' ' ' VAL . 5.8 mtp85 -63.32 -53.94 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.771 0.238 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.56 120.78 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 40.8 t -53.62 133.13 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.99 -37.81 84.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 15.8 tptp -58.68 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -69.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.28 50.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -135.89 139.5 43.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 111.16 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.73 113.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.617 HG21 ' CB ' ' A' ' 29' ' ' PHE . 85.4 mt -74.81 102.15 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 26' ' ' VAL . 3.6 p -99.59 117.61 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.73 -150.17 17.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -64.51 148.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.617 ' CB ' HG21 ' A' ' 25' ' ' ILE . 22.4 p90 -168.62 173.4 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.642 HG23 ' HA ' ' A' ' 39' ' ' PRO . 16.5 t -103.95 104.64 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.598 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -76.63 110.18 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' ARG . 90.6 mt -82.35 163.39 21.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.44 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.03 11.51 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -128.89 174.2 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.598 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 70.3 m80 -140.36 138.88 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' NH1' HD11 ' A' ' 63' ' ' ILE . 15.7 mtt180 -145.99 159.93 42.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 20.1 m80 -64.16 160.9 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.642 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.74 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.1 pt-20 -116.89 -27.25 6.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 76.8 m -80.45 -7.91 59.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 17.2 t80 -70.92 1.39 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 40' ' ' GLU . 29.4 m -72.11 168.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.05 155.65 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.557 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 60.1 m -88.99 -34.77 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -66.8 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -94.26 -62.44 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.79 54.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -107.59 157.26 18.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.186 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.94 111.0 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.576 HD22 ' HA ' ' A' ' 65' ' ' CYS . 42.9 mt -91.33 11.91 22.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.94 -55.21 35.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -93.8 -57.0 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -43.22 -44.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.47 155.0 17.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.471 ' CE1' HD22 ' A' ' 32' ' ' LEU . 7.6 p-80 -119.27 159.5 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -128.31 166.25 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.43 112.12 23.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -140.61 119.91 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 54.33 39.64 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t0 64.14 32.07 12.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' OE1' HG21 ' A' ' 45' ' ' THR . 35.6 mt-30 -132.34 174.24 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.48 HD11 ' NH1' ' A' ' 37' ' ' ARG . 12.1 pt -123.6 137.21 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 62.0 m-85 -145.49 172.68 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.576 ' HA ' HD22 ' A' ' 51' ' ' LEU . 24.8 p -85.17 144.81 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.3 tt0 -37.4 -42.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.67 -66.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' ALA . 17.5 m170 -59.59 -54.91 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -34.2 -59.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -49.9 -49.77 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -54.97 -41.23 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' VAL . 54.0 mtt85 -68.2 -52.07 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 69' ' ' ALA . 98.4 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.432 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.118 0 CA-C-O 120.755 0.231 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' HG3' ' A' ' 17' ' ' MET . 9.8 ptp -55.94 137.1 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 10.1 t -60.61 145.03 50.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -82.39 -40.19 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 9.8 tptm -52.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.02 -65.23 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 122.65 53.7 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.0 p -139.38 143.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.39 123.51 15.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.557 HG21 ' HB3' ' A' ' 29' ' ' PHE . 86.6 mt -79.79 143.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.2 t -138.7 117.55 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 -137.63 13.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.31 144.11 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.557 ' HB3' HG21 ' A' ' 25' ' ' ILE . 17.4 p90 -166.67 170.88 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' A' ' 42' ' ' TYR . 95.1 t -103.72 103.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -74.77 125.45 28.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 ' HE1' ' A' ' 58' ' ' PHE . 10.8 mp -105.0 165.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' LEU . 15.1 ttt85 -32.01 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.01 -2.42 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 32.6 mmt180 -118.95 178.96 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.536 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 7.9 m80 -148.35 138.18 22.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.482 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 31.6 mtt180 -136.08 157.06 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.8 m80 -63.05 163.07 18.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 54.0 Cg_endo -69.77 -20.24 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -101.71 -30.13 11.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 56.5 m -82.84 0.51 43.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 29.5 t80 -76.02 13.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 50' ' ' ASN . 34.0 m -85.83 157.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.31 153.75 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.509 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 91.5 m -88.87 -34.28 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 32.8 t0 -68.54 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.7 -64.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.93 43.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -98.2 149.09 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.544 ' HA ' HG12 ' A' ' 43' ' ' VAL . 9.4 m120 -66.83 108.06 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.4 mt -83.85 11.55 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -42.81 -56.23 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 54' ' ' LYS . 31.6 mt-30 -94.66 -61.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.2 mttm -36.12 -47.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.5 160.07 17.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 36.2 p-80 -116.08 142.25 47.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 20.9 m-85 -111.27 141.32 44.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.693 ' HE1' HD23 ' A' ' 32' ' ' LEU . 31.2 m-85 -90.24 111.92 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.4 t -141.87 109.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 62.52 41.17 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 63.43 31.98 14.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -134.03 176.79 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.482 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 5.1 pt -127.61 134.97 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CE2' ' HB ' ' A' ' 45' ' ' THR . 38.2 m-85 -144.33 174.63 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 68' ' ' HIS . 27.0 p -92.22 137.31 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 27.2 tt0 -33.17 -40.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -57.67 -49.68 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' CYS . 9.5 m170 -83.97 -52.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.76 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.1 ptm180 -52.77 -40.49 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.8 mt-10 -64.13 -39.21 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -65.69 -56.07 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.759 0.233 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.4 mtt -59.26 128.46 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.14 160.59 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.21 -54.76 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -50.51 -62.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -87.63 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 50.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -130.01 131.36 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.148 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.27 107.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.605 HG21 ' CB ' ' A' ' 29' ' ' PHE . 41.3 mt -65.35 147.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 26' ' ' VAL . 12.9 p -141.5 127.19 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.94 -134.55 13.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.55 139.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CB ' HG21 ' A' ' 25' ' ' ILE . 10.0 p90 -167.01 159.17 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.5 t -90.12 102.78 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.65 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -76.18 107.52 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.561 HD11 ' NH2' ' A' ' 37' ' ' ARG . 29.4 mt -81.92 165.7 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' LEU . 27.0 ttt180 -32.02 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -118.02 10.77 13.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.3 mmt180 -129.16 174.36 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.65 ' CE1' ' HG2' ' A' ' 31' ' ' LYS . 87.7 m-70 -134.32 151.37 51.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 1.016 ' NH2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -155.13 171.09 20.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 29.4 m80 -86.09 162.44 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.5 Cg_endo -69.77 -10.02 27.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -116.16 -24.5 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.457 ' C ' ' H ' ' A' ' 43' ' ' VAL . 74.9 m -84.04 1.46 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 7.8 t80 -74.12 17.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.457 ' H ' ' C ' ' A' ' 41' ' ' CYS . 35.8 m -82.87 158.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' HB2' HD21 ' A' ' 51' ' ' LEU . 46.1 t -52.44 162.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.1 m -94.74 -36.47 11.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.477 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 23.3 t0 -67.15 -67.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.59 -56.45 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.98 49.04 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.7 t -108.86 152.14 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.347 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.67 121.05 11.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 23.0 mt -98.47 17.1 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -54.26 -58.54 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.82 -56.54 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -51.53 -52.12 49.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.22 161.5 24.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.486 ' CB ' HD13 ' A' ' 51' ' ' LEU . 1.1 p80 -116.23 154.9 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.58 162.42 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -105.09 110.74 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.4 t -141.19 118.44 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 55.41 42.59 29.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.3 t0 60.78 31.99 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -132.37 173.98 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.016 HD13 ' NH2' ' A' ' 37' ' ' ARG . 4.7 pt -122.99 139.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -151.27 162.06 41.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 15.8 p -79.18 143.84 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' CYS . 40.5 tt0 -36.21 -44.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -54.49 -57.56 10.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 12.5 m170 -67.96 -54.62 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -37.39 -62.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -44.69 -46.11 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.74 -36.34 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -66.93 -52.42 43.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.596 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.103 0 CA-C-O 120.804 0.252 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 ptp -54.14 139.11 36.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.517 ' HA ' HD11 ' A' ' 25' ' ' ILE . 12.6 t -52.07 161.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -102.24 -35.35 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 29.4 tttm -68.72 -49.72 56.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HG ' ' H ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -96.75 -51.1 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.11 63.02 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLY . 6.1 p -149.17 135.52 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -36.67 111.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 16' ' ' PRO . 92.2 mt -69.54 106.5 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.8 p -108.06 114.87 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.29 -139.3 14.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' HB ' ' HG3' ' A' ' 39' ' ' PRO . 15.8 t -55.56 147.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 25' ' ' ILE . 20.4 p90 -168.74 151.75 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -102.26 102.04 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -64.42 102.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' ARG . 32.5 mt -83.74 166.99 17.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.5 ttt180 -32.01 -76.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -117.97 8.68 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.8 mmm180 -129.59 176.98 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.529 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 12.2 m80 -146.39 120.59 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 20' ' ' LYS . 16.5 mtt180 -122.87 165.12 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 20.7 m80 -69.72 159.32 84.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.46 ' HG3' ' HB ' ' A' ' 28' ' ' VAL . 54.4 Cg_endo -69.7 -5.37 16.02 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.9 -25.73 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.7 m -85.74 -0.68 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 15.1 t80 -75.11 8.77 2.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 50' ' ' ASN . 34.6 m -74.98 156.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.419 ' HB2' HD21 ' A' ' 51' ' ' LEU . 44.7 t -52.1 161.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.505 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 92.4 m -92.65 -37.01 12.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 13.8 t0 -67.13 -68.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 p -87.33 -58.74 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.03 54.77 0.48 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.62 149.45 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' HA ' HG12 ' A' ' 43' ' ' VAL . 5.6 m120 -59.8 111.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 44' ' ' CYS . 38.0 mt -88.28 10.76 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -50.83 -57.02 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -92.29 -50.34 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -50.73 -49.11 58.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.39 165.0 19.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -132.37 159.28 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 31.0 m-85 -123.92 167.43 14.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -109.12 110.93 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.0 t -140.8 116.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 57.6 41.12 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.17 32.0 17.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.39 177.64 7.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.3 pt -125.8 141.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 55.7 m-85 -148.64 166.41 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.1 p -80.54 143.89 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.555 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 42.1 tt0 -35.48 -45.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -54.2 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 11.1 m80 -60.99 -55.06 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.64 -51.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 70' ' ' ARG . 37.3 mtm180 -56.45 -48.48 76.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' HIS . 34.8 mt-10 -57.09 -40.38 76.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.46 -49.06 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.239 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.03 128.28 23.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.84 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.08 -29.69 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 25.5 tptt -69.41 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 -67.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.96 53.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 p -138.24 138.97 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.69 110.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.556 HG21 ' CB ' ' A' ' 29' ' ' PHE . 96.6 mt -68.51 102.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.2 p -104.65 108.41 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.95 -158.77 14.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 p -55.06 138.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CB ' HG21 ' A' ' 25' ' ' ILE . 6.8 p90 -158.61 166.11 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.652 HG23 ' HA ' ' A' ' 39' ' ' PRO . 21.2 t -102.23 103.75 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.9 tmtm? -76.03 113.02 13.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 56' ' ' HIS . 91.6 mt -81.86 165.29 20.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' LEU . 43.3 mtt180 -32.0 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.99 5.01 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 28.5 mmm-85 -122.76 174.47 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.603 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 76.1 m80 -133.72 144.72 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 37' ' ' ARG . 10.6 mtt-85 -149.75 159.72 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 10.2 m80 -68.45 163.77 50.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.652 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.83 -13.56 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.6 pt-20 -113.38 -25.41 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 73.3 m -79.42 -5.77 55.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 17.3 t80 -73.73 9.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 40' ' ' GLU . 32.7 m -80.81 157.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.161 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.77 153.95 4.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 26.6 m -86.97 -33.91 19.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 3.7 t70 -67.76 -66.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.68 -62.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.88 54.0 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.3 t -107.66 148.63 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -58.6 109.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 65' ' ' CYS . 49.9 mt -88.11 14.81 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.48 -54.28 45.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.63 -49.4 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -48.63 -56.55 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.64 155.44 9.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.556 ' CE1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -114.31 153.9 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -122.47 166.19 15.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -113.37 110.72 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 72' ' ' ARG . 71.5 t -141.43 121.86 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 52.44 41.3 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 62.22 32.06 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -132.31 175.15 9.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.4 pt -122.71 138.9 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.575 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 52.4 m-85 -148.94 172.64 14.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' GLU . 22.5 p -88.88 144.15 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.6 tt0 -35.48 -43.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -54.34 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.8 m170 -67.81 -56.03 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.2 -59.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -48.07 -45.23 32.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.51 -34.4 77.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.575 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 13.7 mtp85 -69.21 -55.21 11.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.806 0.252 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.71 144.07 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.7 t -86.82 121.48 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.89 -33.17 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 6.3 tppt? -65.62 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -88.21 -65.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.53 41.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.8 p -128.06 131.23 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.72 111.65 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.434 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.765 HG21 ' HB3' ' A' ' 29' ' ' PHE . 11.5 mt -68.09 150.89 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.5 p -133.7 123.44 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.89 -144.11 23.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.55 136.78 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.765 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.6 p90 -167.81 163.04 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG12 HD22 ' A' ' 32' ' ' LEU . 55.5 t -84.29 101.99 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HE3' ' CE1' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -83.03 103.8 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD22 HG12 ' A' ' 30' ' ' VAL . 1.8 mm? -82.36 162.55 22.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 41.6 mtt180 -33.3 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.99 11.98 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 18.9 mmt180 -128.77 174.48 9.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.59 ' CE1' ' HE3' ' A' ' 31' ' ' LYS . 71.1 m-70 -138.53 152.7 48.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.723 ' CZ ' HG21 ' A' ' 63' ' ' ILE . 16.0 mtm-85 -157.09 174.89 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.477 ' CD2' HG23 ' A' ' 25' ' ' ILE . 18.6 m80 -94.08 160.14 32.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.8 pt-20 -116.88 -32.93 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.504 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 55.2 m -76.26 -23.83 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -43.77 -21.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 40' ' ' GLU . 18.3 m -53.48 149.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.6 t -52.02 157.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 96.5 m -92.89 -33.48 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.3 m-20 -68.67 -61.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.37 -59.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.71 53.75 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.4 t -113.93 148.19 37.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.42 113.67 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 65' ' ' CYS . 34.1 mt -94.3 14.24 20.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -41.26 -59.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 54' ' ' LYS . 14.6 mm100 -97.42 -55.72 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.3 mttm -32.84 -66.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.79 166.24 11.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -133.13 170.67 15.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -140.36 155.23 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -97.7 113.72 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -140.71 118.34 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 54.09 40.51 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.38 31.95 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -133.93 177.66 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.723 HG21 ' CZ ' ' A' ' 37' ' ' ARG . 7.1 pt -126.09 139.91 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 78.9 m-85 -147.71 168.29 22.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.563 ' HB3' HD21 ' A' ' 51' ' ' LEU . 25.1 p -81.26 139.57 35.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' CYS . 24.9 tt0 -35.15 -41.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' ALA . 4.3 m80 -64.67 -55.39 20.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.44 -61.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -45.68 -50.1 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.8 -40.38 75.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.785 0.244 . . . . 0.0 112.376 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.7 ptm -59.99 126.84 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.5 t -52.17 144.02 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -83.67 -35.19 24.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 30.7 tptt -60.61 -67.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HG ' ' H ' ' A' ' 21' ' ' CYS . 1.4 p -79.63 -62.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -136.18 146.3 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 116.0 5.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.666 HG21 ' HB3' ' A' ' 29' ' ' PHE . 89.8 mt -72.14 135.98 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.6 p -130.63 118.42 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -135.42 12.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.37 144.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' A' ' 25' ' ' ILE . 22.1 p90 -168.21 161.7 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 39' ' ' PRO . 90.2 t -96.2 102.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.597 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.62 109.01 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' ARG . 86.5 mt -81.55 164.06 22.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 32' ' ' LEU . 2.1 mpt_? -32.02 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 18.1 t70 -117.98 10.57 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 31.6 mmt180 -129.34 174.49 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.597 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 58.7 m80 -139.41 137.19 35.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -143.96 169.67 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 15.1 m80 -77.96 163.33 63.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.6 Cg_endo -69.72 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 pt-20 -115.31 -29.61 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.4 m -79.67 -5.79 55.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 20.4 t80 -74.43 8.73 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 50' ' ' ASN . 35.4 m -78.73 167.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -59.27 150.37 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.419 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 94.9 m -84.04 -32.85 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 9.9 t70 -69.21 -66.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.56 -64.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.59 54.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -108.55 150.14 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.433 ' HA ' HG12 ' A' ' 43' ' ' VAL . 2.6 t-20 -57.4 114.58 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 34.0 mt -98.64 13.19 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.4 -59.23 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -93.35 -47.47 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -44.25 -62.79 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.43 154.03 8.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.402 ' CE1' HD22 ' A' ' 32' ' ' LEU . 3.9 p-80 -122.33 153.75 38.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -126.98 170.5 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -112.38 116.41 30.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 72' ' ' ARG . 61.4 t -144.31 114.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 58.09 40.31 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 64.15 32.07 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -133.36 176.61 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.8 pt -124.98 135.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 69.1 m-85 -142.31 176.18 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 2.9 p -95.15 141.28 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 65' ' ' CYS . 41.1 tt0 -32.71 -39.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 tmtp? -55.58 -58.66 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' ND1' ' HB3' ' A' ' 46' ' ' ASP . 12.3 m170 -73.83 -48.96 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.66 -61.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 70' ' ' ARG . 6.8 ptt180 -50.54 -25.74 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.37 -22.14 25.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.613 ' HB3' HG11 ' A' ' 59' ' ' VAL . 17.3 mtp85 -87.85 -34.64 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.8 0.25 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mtt -61.46 132.53 53.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.11 147.19 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.5 ' HB3' ' CG ' ' A' ' 37' ' ' ARG . 36.0 t0 -84.73 -32.21 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 18.0 tptp -69.83 -69.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.73 -65.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.6 48.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.9 p -130.06 134.46 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.163 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.88 108.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.809 HG21 ' HB3' ' A' ' 29' ' ' PHE . 57.3 mt -66.8 144.78 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -137.71 118.61 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.67 -128.99 9.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.425 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.587 HG13 ' HG3' ' A' ' 39' ' ' PRO . 4.4 p -73.45 141.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.809 ' HB3' HG21 ' A' ' 25' ' ' ILE . 31.2 p90 -164.93 157.77 16.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 39' ' ' PRO . 42.4 t -91.95 102.07 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HD3' ' C ' ' A' ' 31' ' ' LYS . 2.9 tmtp? -75.3 102.05 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 22.8 mt -96.11 169.96 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.619 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.9 mmt-85 -51.97 124.97 14.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.8 m-20 32.66 28.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 33' ' ' ARG . 24.9 mmt180 -137.88 173.25 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -149.97 129.84 13.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 8.6 mtt85 -143.65 165.47 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.8 m80 -80.01 161.69 64.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.587 ' HG3' HG13 ' A' ' 28' ' ' VAL . 53.7 Cg_endo -69.74 -9.69 26.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.91 -24.42 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 71.9 m -82.02 -3.85 55.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 12.6 t80 -73.43 5.5 3.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -73.22 159.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.34 153.38 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 ' NE2' ' A' ' 62' ' ' GLN . 85.5 m -87.68 -34.59 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 20.2 t0 -67.21 -66.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.3 -62.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.84 54.81 0.25 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -111.09 148.86 31.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -57.08 116.4 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 65' ' ' CYS . 42.0 mt -97.5 11.81 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -56.49 -58.95 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -85.59 -59.6 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -46.45 -45.39 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.17 168.71 20.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.26 159.89 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -129.17 154.97 46.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.33 112.36 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.52 112.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 60.39 42.42 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.21 32.04 19.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' NE2' HG21 ' A' ' 45' ' ' THR . 16.3 mt-30 -134.04 178.03 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.91 137.71 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 58.7 m-85 -143.39 174.47 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' GLU . 20.8 p -88.94 145.29 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' CYS . 34.7 tt0 -36.21 -42.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -57.41 -58.69 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 4.7 m170 -65.73 -60.4 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -37.88 -39.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -67.01 -44.98 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' HIS . 5.8 pt-20 -70.48 -29.49 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.559 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 14.2 mtp85 -65.39 -50.53 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.579 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.794 0.247 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -53.49 128.74 29.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HG ' ' HG ' ' A' ' 21' ' ' CYS . 44.0 t -52.14 158.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' CB ' HH21 ' A' ' 35' ' ' ARG . 39.7 t0 -98.91 -42.75 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -60.58 -60.7 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' HG ' ' HG ' ' A' ' 18' ' ' CYS . 1.9 p -90.0 -58.06 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.25 58.05 0.5 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -137.52 142.86 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.85 110.52 0.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.585 HG21 ' CB ' ' A' ' 29' ' ' PHE . 95.9 mt -67.36 142.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.35 129.5 46.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.23 -136.53 17.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.96 143.83 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CB ' HG21 ' A' ' 25' ' ' ILE . 21.8 p90 -168.03 165.86 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' A' ' 39' ' ' PRO . 86.2 t -95.9 107.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -84.04 123.1 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' CE1' ' A' ' 56' ' ' HIS . 78.3 mt -98.88 165.87 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.04 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -118.08 -2.74 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.9 mmm180 -113.83 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.585 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 62.1 m80 -143.05 147.23 34.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -148.57 175.5 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 11.7 m80 -84.9 163.11 47.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.528 ' HA ' HG23 ' A' ' 30' ' ' VAL . 54.0 Cg_endo -69.75 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.473 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.2 pt-20 -115.01 -28.6 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.2 m -76.75 -28.58 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -44.18 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 40' ' ' GLU . 27.8 m -52.09 161.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 45' ' ' THR . 41.4 t -55.08 162.59 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.403 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 95.3 m -90.2 -38.65 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 9.8 t0 -65.9 -65.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.19 -61.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.436 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 113.98 50.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -103.34 149.55 24.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.44 117.47 4.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 65' ' ' CYS . 19.2 mt -103.15 15.01 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -42.44 -55.87 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' LYS . 76.4 mt-30 -98.02 -58.44 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' GLN . 51.5 mttm -33.54 -48.71 0.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.68 168.66 19.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.542 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.622 ' CD2' HG22 ' A' ' 63' ' ' ILE . 3.3 p-80 -133.19 156.21 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 40.8 m-85 -118.97 166.74 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -113.69 111.56 22.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 1.016 HG13 ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -154.04 126.48 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 59.38 40.28 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 t70 54.97 31.98 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -135.5 178.0 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.622 HG22 ' CD2' ' A' ' 56' ' ' HIS . 5.2 pt -128.9 130.96 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 1.016 ' CE2' HG13 ' A' ' 59' ' ' VAL . 7.3 m-85 -133.12 176.58 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.635 ' HB3' HD21 ' A' ' 51' ' ' LEU . 15.7 p -89.98 141.12 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.558 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 51.7 tt0 -32.05 -36.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 13.2 ttmm -63.76 -58.59 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 29.7 m170 -69.45 -43.94 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.53 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 21.3 ptt180 -49.93 -37.03 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 34.1 mt-10 -67.6 -39.1 84.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -76.16 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HG2' ' HB ' ' A' ' 25' ' ' ILE . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.727 0.22 . . . . 0.0 112.361 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 22' ' ' GLY . 5.2 mtt -52.04 125.75 16.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 2.9 t -60.72 153.66 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.01 -47.75 60.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -56.18 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -68.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 17' ' ' MET . . . 102.12 44.4 1.89 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -97.99 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 111.121 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.52 97.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 29' ' ' PHE . 60.4 mt -55.81 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.04 130.38 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -147.34 45.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 p -52.0 149.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.56 ' HB3' HG23 ' A' ' 25' ' ' ILE . 16.6 p90 -165.54 175.81 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 39' ' ' PRO . 25.0 t -118.03 102.03 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.612 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.6 tmtt? -76.46 115.14 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 56' ' ' HIS . 79.1 mt -80.99 166.43 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -31.96 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.499 ' O ' ' NE ' ' A' ' 35' ' ' ARG . 75.9 m-20 -117.92 9.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 34' ' ' ASP . 16.1 mmp_? -128.38 173.73 9.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.612 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 60.6 m80 -131.97 146.23 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' NH2' HG12 ' A' ' 63' ' ' ILE . 11.2 mtt180 -153.06 147.4 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 22.2 m170 -56.86 161.07 5.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.628 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.78 -7.41 21.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -117.64 -23.93 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.0 m -82.18 -8.28 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -70.94 5.39 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -78.63 159.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -54.58 152.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.452 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 90.4 m -85.83 -32.39 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.6 t0 -69.15 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -94.77 -64.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.74 54.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -104.89 148.75 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.74 107.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 65' ' ' CYS . 45.4 mt -90.52 11.88 20.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -46.95 -55.96 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.86 -56.21 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -39.84 -48.52 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 163.42 19.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.6 ' CE1' HD22 ' A' ' 32' ' ' LEU . 6.1 p-80 -126.89 164.31 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -126.95 167.2 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -113.25 110.49 20.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.429 ' CG1' ' HE ' ' A' ' 72' ' ' ARG . 60.3 t -141.13 118.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t70 62.79 32.04 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -132.93 174.34 10.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.428 HG12 ' NH2' ' A' ' 37' ' ' ARG . 11.9 pt -123.51 140.33 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.452 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 58.9 m-85 -148.37 175.23 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.527 ' HB3' HD21 ' A' ' 51' ' ' LEU . 26.7 p -94.89 141.07 29.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' CYS . 43.2 tt0 -33.52 -40.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -57.74 -49.59 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 9.4 m170 -81.88 -52.76 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -43.94 -54.94 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -51.54 -34.63 37.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -72.53 -31.71 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.429 ' HE ' ' CG1' ' A' ' 59' ' ' VAL . 29.9 mtp85 -73.54 -48.88 29.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 69' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.786 0.244 . . . . 0.0 112.372 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.96 115.32 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 33.9 t -52.05 161.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.425 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 1.1 t0 -97.97 -45.26 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.01 -58.53 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -95.53 -63.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 23' ' ' THR . . . 114.38 69.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 22' ' ' GLY . 38.0 p -157.53 132.37 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.1 122.34 3.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.797 HG21 ' HB3' ' A' ' 29' ' ' PHE . 14.8 mt -80.53 161.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.8 p -131.75 123.88 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.38 -139.91 26.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.35 132.54 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.797 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.1 p90 -165.33 157.57 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.6 HG11 ' HB2' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -80.05 131.68 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -112.74 102.84 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' ARG . 58.5 mt -81.03 166.85 20.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -31.96 -73.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.98 9.06 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.3 mmt85 -130.08 173.82 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.589 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 36.0 m80 -137.46 153.38 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.871 ' NH1' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -147.59 165.04 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.499 ' NE2' HG12 ' A' ' 25' ' ' ILE . 26.9 m80 -79.41 158.21 74.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.1 27.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.323 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -112.97 -22.47 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.45 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 87.5 m -83.12 -29.83 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.6 ' HB2' HG11 ' A' ' 30' ' ' VAL . 22.6 t80 -43.46 -22.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.8 m -52.33 155.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.06 138.99 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.441 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 17.1 m -75.41 -26.95 58.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.603 ' OD1' ' CE1' ' A' ' 68' ' ' HIS . 11.1 t70 -71.57 -66.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.03 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.4 49.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -108.53 137.87 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -57.53 116.27 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 16.5 mt -93.19 9.41 36.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -45.11 -49.9 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -97.87 -54.72 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -45.23 -50.66 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.68 153.76 11.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 56' ' ' HIS . 2.0 p-80 -114.02 145.72 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 14.4 m-85 -112.25 150.31 31.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -96.13 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.57 111.28 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 59.08 42.76 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 62.46 32.02 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -132.42 171.49 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.871 HD11 ' NH1' ' A' ' 37' ' ' ARG . 6.6 pt -121.57 138.16 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.441 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 80.9 m-85 -147.12 174.1 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.1 p -90.55 150.87 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -42.44 -42.49 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.13 -66.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.603 ' CE1' ' OD1' ' A' ' 46' ' ' ASP . 6.0 m80 -61.8 -56.81 15.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.58 -61.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -43.09 -47.62 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -60.9 -37.47 82.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -69.48 -56.55 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.412 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.6 Cg_endo . . . . . 0 C--O 1.23 0.103 0 CA-C-O 120.794 0.247 . . . . 0.0 112.366 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtt -52.45 135.27 33.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 48.9 t -54.78 149.74 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -28.07 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' CYS . 7.9 tmtm? -70.83 -65.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.5 p -91.93 -54.02 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.56 72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.3 p -154.0 132.86 12.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.26 131.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.58 HG21 ' CB ' ' A' ' 29' ' ' PHE . 97.2 mt -94.99 148.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.7 p -143.85 138.97 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 64.58 -143.54 47.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.46 133.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CB ' HG21 ' A' ' 25' ' ' ILE . 3.2 p90 -166.04 159.36 15.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.603 HG22 ' H ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -78.9 128.25 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.542 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -111.44 104.9 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 37' ' ' ARG . 28.0 mt -85.47 167.39 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' LEU . 63.4 mtt85 -31.96 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -117.89 4.85 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.7 mmt85 -123.71 171.58 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 9.0 m80 -140.79 148.55 40.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.738 ' CZ ' HD13 ' A' ' 63' ' ' ILE . 4.5 mtm-85 -145.43 170.17 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 19.5 m80 -82.58 159.81 63.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.59 34.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.718 2.278 . . . . 0.0 112.316 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -112.28 -17.84 12.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 85.1 m -92.41 3.03 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.427 ' HB2' HG11 ' A' ' 30' ' ' VAL . 19.1 t80 -78.07 17.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.429 ' HB ' ' C ' ' A' ' 48' ' ' GLY . 31.5 m -81.64 154.31 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.469 ' HB2' HD21 ' A' ' 51' ' ' LEU . 36.0 t -55.88 127.45 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -61.41 -29.83 70.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.43 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 10.5 t0 -69.76 -67.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.81 -63.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.429 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 124.16 52.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -112.56 140.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -54.59 109.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 65' ' ' CYS . 31.4 mt -90.04 10.93 22.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -43.87 -58.28 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.35 -42.85 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -52.86 -44.62 66.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.82 149.88 25.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.561 ' CE1' HD22 ' A' ' 32' ' ' LEU . 13.5 p-80 -111.28 164.34 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 8.3 m-85 -127.05 168.62 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -111.98 113.05 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.596 HG11 ' HB3' ' A' ' 72' ' ' ARG . 57.9 t -140.73 119.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 52.22 44.38 29.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 61.0 32.05 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -133.43 177.18 7.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.738 HD13 ' CZ ' ' A' ' 37' ' ' ARG . 6.6 pt -124.97 147.28 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -156.13 172.06 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.625 ' HB3' HD21 ' A' ' 51' ' ' LEU . 27.5 p -86.7 138.35 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.8 tt0 -32.69 -45.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -65.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' ALA . 8.1 m170 -63.47 -54.74 31.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' ARG . . . -33.87 -64.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 53.7 mtp180 -39.35 -46.65 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.38 -36.39 80.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.596 ' HB3' HG11 ' A' ' 59' ' ' VAL . 26.3 mtt85 -78.04 -58.25 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 69' ' ' ALA . 7.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.594 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.785 0.244 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mtt -64.59 115.63 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.432 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 9.0 t -57.3 143.75 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 16.6 t0 -79.73 -36.5 37.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 8.1 tptp -59.28 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.6 -69.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.65 56.31 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 p -141.27 131.38 24.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.03 123.54 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.738 HG21 ' HB3' ' A' ' 29' ' ' PHE . 6.4 mt -84.0 154.98 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -122.74 120.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -134.58 16.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.77 134.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.738 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.1 p90 -168.04 153.13 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -76.03 135.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -116.77 102.39 9.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' ARG . 88.6 mt -81.6 167.48 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -31.96 -73.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.97 7.24 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.4 mmt180 -127.24 174.52 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 23.2 m80 -139.48 152.17 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.636 ' H ' HG22 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -145.98 166.02 27.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.596 ' CD2' HG12 ' A' ' 25' ' ' ILE . 25.1 m80 -78.6 156.55 77.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -5.99 17.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.72 -25.12 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 75.7 m -81.44 -26.8 35.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB2' HG11 ' A' ' 30' ' ' VAL . 29.3 t80 -45.34 -21.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -54.3 154.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.492 ' HB2' HD21 ' A' ' 51' ' ' LEU . 51.4 t -51.94 145.9 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.6 m -82.31 -28.88 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 20.1 t0 -73.04 -64.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.41 ' HG ' ' H ' ' A' ' 47' ' ' CYS . 1.1 p -92.65 -66.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.11 44.94 0.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.53 139.2 41.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -55.53 114.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 44' ' ' CYS . 32.6 mt -87.23 14.27 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -50.88 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -90.42 -43.39 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.02 -42.86 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.68 145.27 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.496 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 1.4 p-80 -108.15 161.66 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 11.3 m-85 -128.36 171.39 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -114.59 109.97 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 72' ' ' ARG . 96.8 t -141.19 113.45 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 58.63 41.67 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t0 62.75 32.01 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.46 176.52 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.465 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 7.0 pt -126.85 134.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -142.87 171.33 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.3 p -85.48 144.85 27.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -37.68 -43.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -55.33 -64.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.5 m170 -63.98 -55.92 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.35 -65.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -39.95 -50.29 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -55.21 -40.3 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 73' ' ' VAL . 55.4 mtt85 -71.68 -50.59 29.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 72' ' ' ARG . 86.4 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -94.37 -49.6 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 p 52.16 39.5 26.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.98 -116.38 3.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t 62.97 41.96 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -97.11 153.91 17.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.69 108.11 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 p -76.67 129.17 35.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 pt -153.66 140.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.47 -125.81 0.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -55.16 157.32 3.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.25 142.81 22.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -53.56 133.77 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -58.46 133.9 56.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -126.68 140.3 37.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.593 0.711 . . . . 0.0 110.946 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.633 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.76 91.7 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.357 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 ptm -59.44 130.54 47.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 42.1 t -54.48 158.7 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -98.15 -41.92 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -54.32 -59.31 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.24 -56.92 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.12 56.54 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -141.29 142.16 33.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.55 119.74 6.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 16' ' ' PRO . 74.3 mt -80.2 153.58 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.415 ' N ' HG22 ' A' ' 25' ' ' ILE . 4.9 p -147.72 130.55 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.29 -137.57 16.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.7 p -67.4 139.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.512 ' HB3' HG21 ' A' ' 25' ' ' ILE . 17.4 p90 -164.97 170.74 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 39' ' ' PRO . 32.5 t -108.17 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.28 123.8 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD22 ' CE1' ' A' ' 56' ' ' HIS . 57.6 mt -92.56 166.35 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 9.1 ttt180 -31.97 -72.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.02 -1.99 11.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 26.8 mmm180 -117.05 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.601 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 44.9 m80 -137.14 147.43 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' NH1' HD13 ' A' ' 63' ' ' ILE . 20.8 mtt85 -147.09 167.42 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 25' ' ' ILE . 15.4 m80 -78.52 161.88 68.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.732 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.77 -10.59 28.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.9 pt-20 -112.16 -26.25 8.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' VAL . 71.0 m -78.68 -28.63 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.62 ' O ' HD12 ' A' ' 51' ' ' LEU . 15.7 t80 -43.55 -22.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 40' ' ' GLU . 14.1 m -54.56 159.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.47 154.81 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -88.03 -33.99 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.18 -65.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -93.83 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.25 51.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.7 t -100.77 146.31 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.102 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -61.91 104.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 42' ' ' TYR . 27.8 mt -84.38 12.88 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -50.16 -56.95 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -93.66 -48.36 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -50.73 -51.89 45.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.05 165.4 19.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.491 ' CE1' HD22 ' A' ' 32' ' ' LEU . 1.5 p-80 -120.14 152.72 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 8.9 m-85 -115.95 164.94 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -110.47 110.36 21.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.475 HG11 ' HB3' ' A' ' 72' ' ' ARG . 96.8 t -141.26 114.62 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 58.26 41.56 23.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 62.07 32.02 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -132.97 176.59 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.406 HD13 ' NH1' ' A' ' 37' ' ' ARG . 20.2 pt -126.63 135.94 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.41 170.38 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' HIS . 25.1 p -85.47 138.53 32.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.8 tt0 -33.41 -36.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' CYS . 39.4 tttp -61.73 -49.78 75.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.5 m80 -81.99 -49.74 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 73' ' ' VAL . . . -44.57 -57.36 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 2.2 ptm85 -48.78 -42.63 36.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 6.9 mm-40 -63.43 -37.22 86.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HB3' HG11 ' A' ' 59' ' ' VAL . 77.1 mtt-85 -74.46 -58.05 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 69' ' ' ALA . 6.8 p -56.58 -26.82 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.4 t -120.44 112.01 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.17 -146.69 17.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -179.32 2.82 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -138.71 110.1 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.9 p -83.94 115.14 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.467 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -148.34 151.89 36.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -129.79 171.17 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.92 139.58 9.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -118.4 177.56 4.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -161.42 157.92 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.99 109.04 1.32 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -104.78 157.22 17.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.854 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -113.85 125.65 71.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.442 ' N ' HD13 ' A' ' 9' ' ' ILE . . . -122.15 -66.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -53.37 148.87 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.14 147.28 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -82.38 142.87 31.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -110.39 17.93 20.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 25' ' ' ILE . 47.0 mt -112.32 143.09 28.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.422 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.79 101.09 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -61.24 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -52.01 156.89 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.98 -39.06 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -65.2 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -82.23 -53.92 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.65 65.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.5 p -144.62 145.99 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.15 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 112.84 2.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.49 HG12 ' CE1' ' A' ' 38' ' ' HIS . 62.3 mt -74.4 153.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.5 p -151.1 126.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.55 -135.9 14.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.51 140.44 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.433 ' HB3' HG21 ' A' ' 25' ' ' ILE . 6.9 p90 -167.63 161.92 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.3 t -92.37 102.04 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -77.05 104.99 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD11 HH11 ' A' ' 37' ' ' ARG . 78.8 mt -82.69 165.02 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' LEU . 61.2 mtt180 -32.1 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -118.01 12.33 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -128.8 174.79 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.545 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.6 m80 -140.84 143.83 35.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.497 HH11 HD11 ' A' ' 32' ' ' LEU . 10.8 mtt85 -149.76 166.86 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.49 ' CE1' HG12 ' A' ' 25' ' ' ILE . 26.8 m80 -79.05 162.04 66.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.85 -9.8 26.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.43 -28.03 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 43' ' ' VAL . 67.5 m -79.72 -2.24 42.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.512 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 12.6 t80 -69.85 6.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.779 HG12 ' HA ' ' A' ' 50' ' ' ASN . 29.4 m -72.65 160.84 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.583 ' HA ' HD11 ' A' ' 51' ' ' LEU . 50.5 t -53.82 162.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.7 m -97.57 -35.29 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 16.7 t0 -66.58 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -95.6 -56.95 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.09 51.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.4 145.31 31.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.779 ' HA ' HG12 ' A' ' 43' ' ' VAL . 10.9 t-20 -55.22 107.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 44' ' ' CYS . 28.1 mt -90.58 14.38 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -50.35 -49.77 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' LYS . 37.0 mt-30 -97.54 -60.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLN . 28.3 mtpt -35.74 -66.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.88 168.08 12.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 4.0 p-80 -130.48 154.01 48.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 7.4 m-85 -124.53 166.07 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -109.5 110.83 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.4 t -140.04 115.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 58.26 41.89 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 61.49 32.47 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -132.98 177.07 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.89 139.57 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -149.3 170.11 19.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.575 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.2 p -83.57 146.84 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -38.33 -48.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -60.97 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 71' ' ' GLU . 15.9 m170 -63.54 -62.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . . . -33.31 -45.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -61.66 -46.55 89.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 68' ' ' HIS . 4.0 pt-20 -71.46 -29.21 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -69.21 -47.09 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 74' ' ' SER . 8.3 p -71.2 -41.62 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 73' ' ' VAL . 22.3 t -75.55 149.79 38.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.71 171.03 44.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 2.78 3.22 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.3 p -82.09 159.31 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.7 m -70.11 166.64 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.482 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -85.99 -50.85 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -166.3 167.64 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.85 165.87 18.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -139.18 148.74 43.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -142.87 155.52 44.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.47 -178.98 32.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.556 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -111.26 163.72 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.823 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.4 mt -137.43 112.87 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.04 133.84 1.73 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -64.63 147.41 53.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.78 134.87 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -65.25 153.71 40.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.35 152.9 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -148.22 148.05 27.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 101.97 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 mtp -62.33 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.52 157.89 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -102.57 -33.77 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 5.5 tmtm? -67.46 -63.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.03 -51.52 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.52 70.44 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.0 p -155.17 133.55 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.49 123.76 4.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 29' ' ' PHE . 58.3 mt -85.15 151.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -147.78 126.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.72 -135.83 13.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.14 136.13 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CB ' HG21 ' A' ' 25' ' ' ILE . 20.0 p90 -163.11 160.62 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 39' ' ' PRO . 40.3 t -92.14 102.04 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.26 111.5 10.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' ARG . 92.9 mt -81.93 165.2 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 10.4 ttt180 -32.05 -72.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.0 8.74 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.7 mmm180 -129.0 174.81 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.6 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 46.2 m80 -136.82 139.93 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.933 ' NH1' HD11 ' A' ' 63' ' ' ILE . 24.4 mtt180 -140.5 164.11 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CE1' HG12 ' A' ' 25' ' ' ILE . 37.2 m80 -74.15 160.16 82.22 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.437 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.4 Cg_endo -69.74 -9.09 25.26 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.71 -22.31 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' VAL . 85.0 m -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 51' ' ' LEU . 15.8 t80 -45.26 -19.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' C ' ' A' ' 41' ' ' CYS . 19.4 m -52.05 159.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.31 161.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.423 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 41.9 m -94.04 -37.05 11.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 14.1 t0 -64.69 -65.51 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -93.19 -59.52 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.77 52.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.5 t -106.29 151.02 25.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.403 ' HA ' HG12 ' A' ' 43' ' ' VAL . 23.5 m120 -61.62 116.18 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 65' ' ' CYS . 37.7 mt -98.67 1.51 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -42.48 -52.71 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 54' ' ' LYS . 10.3 mm100 -92.81 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' GLN . 40.4 mttp -36.07 -62.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.57 162.66 11.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -126.59 152.63 46.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -114.7 170.75 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -113.1 110.55 20.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -140.4 120.39 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 53.05 42.76 32.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 t0 61.25 31.97 19.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.96 177.64 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.933 HD11 ' NH1' ' A' ' 37' ' ' ARG . 9.9 pt -124.97 139.97 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 68.3 m-85 -150.06 162.27 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.7 p -77.64 142.09 39.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.0 tt0 -34.97 -44.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -55.67 -62.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ALA . 5.2 m170 -63.21 -54.43 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -35.22 -64.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -45.68 -43.85 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.13 -28.8 69.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' SER . 17.8 mtp85 -80.59 -55.99 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 69' ' ' ALA . 0.8 OUTLIER -39.96 -25.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ARG . 25.1 t -51.35 -47.48 62.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.45 144.08 5.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 145.01 55.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.6 m -50.34 -47.77 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t 61.97 41.92 10.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.465 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 t -141.21 157.46 45.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.81 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -150.68 150.74 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.66 -164.48 9.93 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -157.72 118.25 3.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -93.78 174.83 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.39 176.02 35.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -133.29 140.39 47.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.7 mt -105.99 133.4 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.15 -52.3 0.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -62.84 174.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.35 124.08 49.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 5.9 pm0 -65.58 129.19 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -108.66 17.96 21.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -144.99 141.62 17.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.494 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . 53.3 Cg_endo -69.77 95.02 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -60.5 130.29 45.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 41.8 t -52.02 156.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -96.86 -44.49 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -55.96 -64.39 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.0 p -83.34 -57.82 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.34 65.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 p -150.42 139.99 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.5 119.11 6.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' PHE . 78.5 mt -76.72 142.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.7 p -137.02 119.43 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.06 -130.72 10.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.03 142.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.727 ' HB3' HG21 ' A' ' 25' ' ' ILE . 32.3 p90 -168.39 168.04 11.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.84 104.96 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 6.8 tmtt? -76.99 112.43 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.606 HD11 HH11 ' A' ' 37' ' ' ARG . 89.7 mt -81.83 166.78 19.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.01 -72.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -117.99 -1.24 11.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 17.9 mmt-85 -117.77 175.79 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.603 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 43.9 m80 -139.65 139.91 36.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.606 HH11 HD11 ' A' ' 32' ' ' LEU . 25.6 mtt85 -141.4 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 21.0 m80 -82.33 163.15 53.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.2 Cg_endo -69.78 -11.3 30.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -111.96 -26.87 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -85.44 -3.21 58.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 13.6 t80 -74.86 8.77 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.8 161.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -52.32 152.49 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.542 HG21 ' OE1' ' A' ' 62' ' ' GLN . 91.3 m -86.92 -34.85 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -92.62 -63.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.08 52.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -104.27 160.91 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 111.105 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.42 121.88 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -107.4 10.01 29.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -46.55 -51.05 16.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -97.98 -56.53 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -43.88 -48.6 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 157.56 26.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.662 ' ND1' HG22 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -114.28 159.09 20.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -119.02 161.18 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -103.14 114.41 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -142.86 115.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 55.95 42.36 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 61.73 31.96 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.542 ' OE1' HG21 ' A' ' 45' ' ' THR . 23.2 mt-30 -133.58 177.62 7.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.662 HG22 ' ND1' ' A' ' 56' ' ' HIS . 8.1 pt -127.15 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -149.49 173.63 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . 10.9 p -91.38 140.02 30.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 25.6 tt0 -33.97 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -56.36 -48.53 76.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 8.5 m170 -85.16 -49.35 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.677 ' O ' HG12 ' A' ' 73' ' ' VAL . . . -44.24 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 10.0 ptm180 -61.12 -35.76 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 38.2 mt-10 -75.19 -31.47 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -72.42 -57.64 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 69' ' ' ALA . 2.3 p -49.42 -34.69 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.2 m 49.69 40.78 20.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.94 -173.21 49.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.97 7.67 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.2 p -146.88 162.11 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -76.85 -43.97 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 70' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -143.9 144.93 31.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.851 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -167.61 159.62 12.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.83 130.79 3.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -160.26 152.21 20.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -157.04 162.7 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.31 171.79 44.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 t -122.76 129.54 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.821 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.18 135.18 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.92 91.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -163.96 162.51 23.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.83 173.39 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -133.33 115.91 15.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -82.71 17.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.8 mt -139.36 141.6 29.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.679 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.2 Cg_endo -69.77 91.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ptp -56.51 139.03 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 49.1 t -62.27 134.29 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.96 -37.33 64.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 16.7 tptp -56.01 -65.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -68.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.42 61.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -149.38 133.43 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.02 125.37 2.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 16' ' ' PRO . 85.1 mt -84.85 142.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 26' ' ' VAL . 11.1 p -131.3 122.74 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.07 -143.87 18.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.67 145.0 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.67 ' HB3' HG21 ' A' ' 25' ' ' ILE . 8.5 p90 -166.5 169.82 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG12 HD22 ' A' ' 32' ' ' LEU . 77.4 t -98.99 102.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -78.19 104.21 8.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.65 HD22 HG12 ' A' ' 30' ' ' VAL . 4.2 mm? -82.23 162.67 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.6 mtt85 -32.61 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.07 11.99 13.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -128.72 174.67 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.586 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 78.0 m80 -143.2 135.78 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 46.7 mtt180 -141.64 169.71 17.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 12.4 m80 -77.02 162.16 70.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.8 Cg_endo -69.79 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.35 -28.19 6.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.2 m -82.03 -0.93 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 19.8 t80 -74.56 8.7 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 50' ' ' ASN . 33.4 m -82.67 156.2 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.95 156.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.491 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.4 m -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' CG ' ' NE2' ' A' ' 68' ' ' HIS . 7.1 t70 -67.12 -66.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.52 -60.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.89 49.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -103.05 152.93 20.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.44 ' HA ' HG12 ' A' ' 43' ' ' VAL . 14.6 m120 -69.91 111.01 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 65' ' ' CYS . 21.9 mt -88.4 15.54 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -46.0 -52.71 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.71 -37.66 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -49.4 -47.83 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.51 151.56 9.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.458 ' CE1' ' CD1' ' A' ' 32' ' ' LEU . 7.8 p-80 -121.67 166.24 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.44 149.21 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -95.18 111.66 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.496 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 84.1 t -141.53 108.81 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 64.24 39.98 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.94 31.98 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -133.74 176.3 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 10.6 pt -122.05 140.43 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 59' ' ' VAL . 29.8 m-85 -145.92 176.1 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.565 ' HB3' HD21 ' A' ' 51' ' ' LEU . 15.9 p -98.34 141.46 31.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.2 tt0 -33.22 -45.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -51.3 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.501 ' NE2' ' CG ' ' A' ' 46' ' ' ASP . 8.5 m80 -70.27 -55.41 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.53 -60.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -47.9 -45.76 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.53 -38.79 88.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -68.44 -56.87 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 69' ' ' ALA . 7.2 p -61.75 -30.82 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 t -95.83 16.46 17.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.29 178.41 8.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 103.83 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.733 2.289 . . . . 0.0 112.337 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.0 t -76.18 -59.28 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -130.11 140.7 50.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.507 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -106.92 155.7 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -85.91 -54.13 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.26 96.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -154.93 143.37 20.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -72.58 134.7 45.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.24 -144.13 9.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -99.81 155.93 17.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.51 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.7 pp -107.23 151.31 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.23 138.41 3.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -134.17 109.3 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.49 -56.16 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.28 125.02 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -65.68 154.44 38.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 mt -138.12 140.78 29.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 113.46 3.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -68.86 130.72 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 47.1 t -56.74 164.04 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.26 -43.25 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -66.08 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -75.92 -46.81 28.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 92.2 55.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -136.8 136.67 39.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.95 108.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' A' ' 29' ' ' PHE . 26.3 mt -67.37 137.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.8 p -130.96 117.29 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.73 -131.91 10.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.93 146.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.775 ' HB3' HG21 ' A' ' 25' ' ' ILE . 35.9 p90 -168.11 161.95 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -99.03 102.04 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.592 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.04 110.48 11.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 37' ' ' ARG . 52.4 mt -82.51 167.26 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.558 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 60.0 mtt180 -31.99 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -118.01 3.91 12.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.4 mmm180 -121.25 173.87 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.592 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 74.6 m80 -134.65 151.72 51.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 1.081 ' NH2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -156.34 169.79 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.3 m80 -85.08 163.92 43.65 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.555 0.693 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.7 -6.46 18.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' HG13 ' A' ' 43' ' ' VAL . 18.3 mt-10 -118.03 -30.59 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 43' ' ' VAL . 62.5 m -77.11 -2.07 32.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 8.7 t80 -74.52 14.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 40' ' ' GLU . 33.5 m -78.37 154.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.457 ' HB2' HD21 ' A' ' 51' ' ' LEU . 43.4 t -52.1 161.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -90.52 -38.98 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 7.7 t70 -65.12 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -90.17 -60.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.51 57.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -113.69 151.23 32.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -57.15 108.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 65' ' ' CYS . 28.1 mt -89.64 16.49 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 53' ' ' GLN . 4.6 tmmm? -58.9 -58.91 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' N ' ' HD2' ' A' ' 52' ' ' LYS . 52.4 mt-30 -79.52 -64.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -45.04 -59.02 2.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.41 171.14 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -128.76 156.4 43.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 12.3 m-85 -121.15 167.39 12.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 12.1 m-85 -112.83 110.84 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 63.1 t -140.31 120.08 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 55.98 43.81 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t0 59.37 32.01 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -132.78 176.07 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.081 HD13 ' NH2' ' A' ' 37' ' ' ARG . 6.6 pt -124.16 140.04 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -148.98 161.41 41.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.521 ' HB3' HD21 ' A' ' 51' ' ' LEU . 9.0 p -75.77 141.84 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 23.2 tt0 -34.33 -45.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.37 -61.91 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 9.0 m170 -61.14 -55.84 27.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.29 -62.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -45.53 -50.88 12.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -52.93 -42.36 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -63.18 -57.35 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.9 t -43.07 -54.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 t -65.79 -61.18 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.54 153.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -178.15 2.19 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 t -115.09 149.73 37.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -64.12 172.98 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.51 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -152.61 118.18 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.879 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -165.64 156.63 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.69 145.94 4.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -146.72 136.22 22.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.4 m -122.71 140.48 52.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.18 172.48 12.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -90.11 123.81 34.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -112.01 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.74 77.9 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -128.71 148.58 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.53 117.04 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -106.37 116.63 32.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 3.6 mppt? -94.24 17.99 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -116.85 150.1 45.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.77 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 24' ' ' GLY . 1.8 mmt -59.52 141.02 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 t -72.78 135.34 45.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.9 -32.62 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 11.6 tptm -68.18 -63.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.99 -69.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.55 47.28 0.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.7 p -135.13 132.08 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' N ' ' SD ' ' A' ' 17' ' ' MET . . . -40.58 126.59 2.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.579 HG21 ' HB3' ' A' ' 29' ' ' PHE . 44.0 mt -87.54 154.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.4 p -144.18 130.93 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 79.08 -142.97 25.82 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.551 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.07 139.6 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.579 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.0 p90 -167.06 170.36 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.617 HG12 HD22 ' A' ' 32' ' ' LEU . 66.2 t -102.29 101.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.604 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -83.31 106.94 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.617 HD22 HG12 ' A' ' 30' ' ' VAL . 3.7 mm? -84.39 162.03 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.4 ttt-85 -32.26 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.05 12.49 13.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 35' ' ' ARG . 8.8 mmt180 -128.55 172.95 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.604 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.7 m80 -143.72 136.38 27.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 50.2 mtt180 -146.81 156.97 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.451 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.6 m80 -66.27 163.05 42.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.3 Cg_endo -69.8 -9.97 27.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.5 pt-20 -110.39 -31.4 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 61.2 m -75.9 -23.48 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' O ' HD12 ' A' ' 63' ' ' ILE . 13.5 t80 -43.51 -21.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 40' ' ' GLU . 17.3 m -52.49 157.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.03 151.61 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.446 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 88.5 m -88.25 -33.5 18.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 15.2 t0 -67.85 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -95.94 -63.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.37 46.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.7 t -101.55 142.07 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.97 109.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 28.7 mt -88.69 16.23 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.44 -47.33 84.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -98.58 -41.63 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -62.91 -56.18 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.19 159.85 10.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.448 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 9.7 p-80 -124.39 160.97 26.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.36 151.83 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -95.73 110.17 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 72' ' ' ARG . 60.9 t -140.87 115.25 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 58.26 40.96 24.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t70 62.66 32.03 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -133.41 173.6 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 42' ' ' TYR . 8.3 pt -120.66 140.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.446 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 60.6 m-85 -151.11 169.15 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.9 p -85.75 147.93 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -40.14 -43.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -55.6 -66.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.43 ' ND1' ' HB3' ' A' ' 46' ' ' ASP . 17.2 m170 -62.22 -56.55 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.34 -55.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -52.73 -45.64 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' HIS . 41.7 mt-10 -60.44 -35.52 76.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.531 ' HD3' HG11 ' A' ' 59' ' ' VAL . 5.8 mtp85 -63.32 -53.94 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.94 -36.67 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 75' ' ' GLY . 15.3 t -67.15 -50.18 62.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' SER . . . -35.61 123.2 0.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.24 20.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -112.65 172.6 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.814 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m -48.35 -51.82 24.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.437 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -147.78 175.31 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -153.56 146.96 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.95 -179.15 42.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -128.62 112.0 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t -118.63 160.33 22.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 146.65 6.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.2 t -150.35 105.69 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -67.44 160.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.79 174.14 21.45 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -61.49 150.06 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.62 138.32 32.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -143.09 141.57 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 132.93 53.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.94 157.37 84.66 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.77 110.7 2.62 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.56 120.78 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 40.8 t -53.62 133.13 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.99 -37.81 84.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 15.8 tptp -58.68 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -69.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.28 50.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -135.89 139.5 43.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 111.16 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.73 113.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.617 HG21 ' CB ' ' A' ' 29' ' ' PHE . 85.4 mt -74.81 102.15 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 26' ' ' VAL . 3.6 p -99.59 117.61 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.73 -150.17 17.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -64.51 148.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.617 ' CB ' HG21 ' A' ' 25' ' ' ILE . 22.4 p90 -168.62 173.4 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.642 HG23 ' HA ' ' A' ' 39' ' ' PRO . 16.5 t -103.95 104.64 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.598 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -76.63 110.18 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' ARG . 90.6 mt -82.35 163.39 21.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.44 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.03 11.51 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -128.89 174.2 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.598 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 70.3 m80 -140.36 138.88 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' NH1' HD11 ' A' ' 63' ' ' ILE . 15.7 mtt180 -145.99 159.93 42.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 20.1 m80 -64.16 160.9 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.642 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.74 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.1 pt-20 -116.89 -27.25 6.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 76.8 m -80.45 -7.91 59.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 17.2 t80 -70.92 1.39 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 40' ' ' GLU . 29.4 m -72.11 168.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.05 155.65 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.557 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 60.1 m -88.99 -34.77 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -66.8 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -94.26 -62.44 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.79 54.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -107.59 157.26 18.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.186 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.94 111.0 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.576 HD22 ' HA ' ' A' ' 65' ' ' CYS . 42.9 mt -91.33 11.91 22.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.94 -55.21 35.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -93.8 -57.0 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -43.22 -44.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.47 155.0 17.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.471 ' CE1' HD22 ' A' ' 32' ' ' LEU . 7.6 p-80 -119.27 159.5 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -128.31 166.25 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.43 112.12 23.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -140.61 119.91 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 54.33 39.64 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t0 64.14 32.07 12.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' OE1' HG21 ' A' ' 45' ' ' THR . 35.6 mt-30 -132.34 174.24 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.48 HD11 ' NH1' ' A' ' 37' ' ' ARG . 12.1 pt -123.6 137.21 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 62.0 m-85 -145.49 172.68 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.576 ' HA ' HD22 ' A' ' 51' ' ' LEU . 24.8 p -85.17 144.81 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.3 tt0 -37.4 -42.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.67 -66.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' ALA . 17.5 m170 -59.59 -54.91 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -34.2 -59.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -49.9 -49.77 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -54.97 -41.23 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' VAL . 54.0 mtt85 -68.2 -52.07 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 69' ' ' ALA . 98.4 t -34.49 -60.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' GLY . 3.3 m -102.57 120.84 41.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' SER . . . -36.89 137.7 0.51 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.67 23.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.5 p -139.78 120.61 14.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t -138.73 130.8 28.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.485 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -42.88 -57.35 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -83.28 -53.35 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.42 46.33 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -119.82 126.12 50.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -148.91 121.73 8.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 9' ' ' ILE . . . 172.93 67.74 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.546 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m 53.37 42.15 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 7' ' ' GLY . 35.4 pt -137.48 158.0 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.56 166.26 40.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -127.64 129.52 47.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.65 134.19 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -64.95 137.37 57.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 15' ' ' LEU . 4.9 mptt -99.48 17.97 19.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.686 HD13 HG22 ' A' ' 26' ' ' VAL . 35.0 mt -136.21 137.6 25.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.78 92.5 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' HG3' ' A' ' 17' ' ' MET . 9.8 ptp -55.94 137.1 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 10.1 t -60.61 145.03 50.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -82.39 -40.19 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 9.8 tptm -52.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.02 -65.23 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 122.65 53.7 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.0 p -139.38 143.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.39 123.51 15.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.557 HG21 ' HB3' ' A' ' 29' ' ' PHE . 86.6 mt -79.79 143.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG22 HD13 ' A' ' 15' ' ' LEU . 74.2 t -138.7 117.55 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 -137.63 13.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.31 144.11 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.557 ' HB3' HG21 ' A' ' 25' ' ' ILE . 17.4 p90 -166.67 170.88 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' A' ' 42' ' ' TYR . 95.1 t -103.72 103.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -74.77 125.45 28.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 ' HE1' ' A' ' 58' ' ' PHE . 10.8 mp -105.0 165.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' LEU . 15.1 ttt85 -32.01 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.01 -2.42 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 32.6 mmt180 -118.95 178.96 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.536 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 7.9 m80 -148.35 138.18 22.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.482 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 31.6 mtt180 -136.08 157.06 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.8 m80 -63.05 163.07 18.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 54.0 Cg_endo -69.77 -20.24 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -101.71 -30.13 11.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 56.5 m -82.84 0.51 43.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 29.5 t80 -76.02 13.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 50' ' ' ASN . 34.0 m -85.83 157.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.31 153.75 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.509 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 91.5 m -88.87 -34.28 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 32.8 t0 -68.54 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.7 -64.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.93 43.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -98.2 149.09 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.544 ' HA ' HG12 ' A' ' 43' ' ' VAL . 9.4 m120 -66.83 108.06 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.4 mt -83.85 11.55 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -42.81 -56.23 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 54' ' ' LYS . 31.6 mt-30 -94.66 -61.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.2 mttm -36.12 -47.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.5 160.07 17.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 36.2 p-80 -116.08 142.25 47.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 20.9 m-85 -111.27 141.32 44.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.693 ' HE1' HD23 ' A' ' 32' ' ' LEU . 31.2 m-85 -90.24 111.92 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.4 t -141.87 109.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 62.52 41.17 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 63.43 31.98 14.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -134.03 176.79 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.482 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 5.1 pt -127.61 134.97 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CE2' ' HB ' ' A' ' 45' ' ' THR . 38.2 m-85 -144.33 174.63 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 68' ' ' HIS . 27.0 p -92.22 137.31 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 27.2 tt0 -33.17 -40.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -57.67 -49.68 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' CYS . 9.5 m170 -83.97 -52.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.76 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.1 ptm180 -52.77 -40.49 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.8 mt-10 -64.13 -39.21 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -65.69 -56.07 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.7 t -39.36 -54.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.6 p -65.13 -57.31 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -38.56 144.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.19 68.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -73.73 122.33 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 t -76.4 -57.75 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.468 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -138.89 124.24 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -88.38 176.1 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.54 40.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -99.41 136.86 38.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -150.44 160.26 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.96 137.44 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -149.79 135.05 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.5 tt -107.3 145.39 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.34 131.38 10.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -113.84 129.26 56.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 112.22 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 1.9 pm0 -91.71 126.65 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -111.0 18.01 19.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.2 mt -137.2 144.68 46.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 101.13 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.627 2.218 . . . . 0.0 112.356 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.4 mtt -59.26 128.46 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.14 160.59 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.21 -54.76 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -50.51 -62.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -87.63 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 50.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -130.01 131.36 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.148 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.27 107.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.605 HG21 ' CB ' ' A' ' 29' ' ' PHE . 41.3 mt -65.35 147.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 26' ' ' VAL . 12.9 p -141.5 127.19 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.94 -134.55 13.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.55 139.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CB ' HG21 ' A' ' 25' ' ' ILE . 10.0 p90 -167.01 159.17 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.5 t -90.12 102.78 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.65 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -76.18 107.52 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.561 HD11 ' NH2' ' A' ' 37' ' ' ARG . 29.4 mt -81.92 165.7 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' LEU . 27.0 ttt180 -32.02 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -118.02 10.77 13.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.3 mmt180 -129.16 174.36 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.65 ' CE1' ' HG2' ' A' ' 31' ' ' LYS . 87.7 m-70 -134.32 151.37 51.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 1.016 ' NH2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -155.13 171.09 20.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 29.4 m80 -86.09 162.44 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.5 Cg_endo -69.77 -10.02 27.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -116.16 -24.5 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.457 ' C ' ' H ' ' A' ' 43' ' ' VAL . 74.9 m -84.04 1.46 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 7.8 t80 -74.12 17.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' H ' ' C ' ' A' ' 41' ' ' CYS . 35.8 m -82.87 158.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' HB2' HD21 ' A' ' 51' ' ' LEU . 46.1 t -52.44 162.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.1 m -94.74 -36.47 11.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 23.3 t0 -67.15 -67.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.59 -56.45 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.98 49.04 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.7 t -108.86 152.14 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.347 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.67 121.05 11.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 23.0 mt -98.47 17.1 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -54.26 -58.54 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.82 -56.54 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -51.53 -52.12 49.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.22 161.5 24.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.486 ' CB ' HD13 ' A' ' 51' ' ' LEU . 1.1 p80 -116.23 154.9 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.58 162.42 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -105.09 110.74 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.4 t -141.19 118.44 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 55.41 42.59 29.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.3 t0 60.78 31.99 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -132.37 173.98 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.016 HD13 ' NH2' ' A' ' 37' ' ' ARG . 4.7 pt -122.99 139.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -151.27 162.06 41.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 15.8 p -79.18 143.84 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' CYS . 40.5 tt0 -36.21 -44.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -54.49 -57.56 10.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 12.5 m170 -67.96 -54.62 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -37.39 -62.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -44.69 -46.11 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.74 -36.34 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -66.93 -52.42 43.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.04 -27.16 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.5 t -94.88 127.58 41.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' A' ' 77' ' ' SER . . . -108.24 162.68 12.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 11.66 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 75' ' ' GLY . 60.4 p -52.09 128.49 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.6 m -96.19 167.0 11.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.498 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -105.3 145.38 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m 58.03 42.09 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.53 87.03 0.93 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -154.23 158.44 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.841 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -138.3 168.06 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.55 61.76 4.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -77.41 176.32 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.7 mp -77.2 138.34 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.39 54.41 0.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -150.11 125.56 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.27 145.25 32.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -99.79 156.37 17.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -104.11 17.97 23.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.71 138.34 18.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.596 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.2 Cg_endo -69.76 97.3 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 ptp -54.14 139.11 36.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.517 ' HA ' HD11 ' A' ' 25' ' ' ILE . 12.6 t -52.07 161.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -102.24 -35.35 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 29.4 tttm -68.72 -49.72 56.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.75 -51.1 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.11 63.02 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLY . 6.1 p -149.17 135.52 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -36.67 111.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 16' ' ' PRO . 92.2 mt -69.54 106.5 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.8 p -108.06 114.87 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.29 -139.3 14.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' HB ' ' HG3' ' A' ' 39' ' ' PRO . 15.8 t -55.56 147.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 25' ' ' ILE . 20.4 p90 -168.74 151.75 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -102.26 102.04 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -64.42 102.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' ARG . 32.5 mt -83.74 166.99 17.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.5 ttt180 -32.01 -76.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -117.97 8.68 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.8 mmm180 -129.59 176.98 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 12.2 m80 -146.39 120.59 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 20' ' ' LYS . 16.5 mtt180 -122.87 165.12 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 20.7 m80 -69.72 159.32 84.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.46 ' HG3' ' HB ' ' A' ' 28' ' ' VAL . 54.4 Cg_endo -69.7 -5.37 16.02 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.9 -25.73 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.7 m -85.74 -0.68 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 15.1 t80 -75.11 8.77 2.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 50' ' ' ASN . 34.6 m -74.98 156.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.419 ' HB2' HD21 ' A' ' 51' ' ' LEU . 44.7 t -52.1 161.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.505 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 92.4 m -92.65 -37.01 12.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 13.8 t0 -67.13 -68.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 p -87.33 -58.74 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.03 54.77 0.48 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.62 149.45 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' HA ' HG12 ' A' ' 43' ' ' VAL . 5.6 m120 -59.8 111.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 44' ' ' CYS . 38.0 mt -88.28 10.76 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -50.83 -57.02 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -92.29 -50.34 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -50.73 -49.11 58.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.39 165.0 19.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -132.37 159.28 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 31.0 m-85 -123.92 167.43 14.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -109.12 110.93 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.0 t -140.8 116.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 57.6 41.12 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.17 32.0 17.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.39 177.64 7.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.3 pt -125.8 141.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 55.7 m-85 -148.64 166.41 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.1 p -80.54 143.89 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.555 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 42.1 tt0 -35.48 -45.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -54.2 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 11.1 m80 -60.99 -55.06 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.64 -51.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 70' ' ' ARG . 37.3 mtm180 -56.45 -48.48 76.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' HIS . 34.8 mt-10 -57.09 -40.38 76.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.46 -49.06 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.4 t -62.69 -57.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.3 m -100.31 107.75 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.1 160.21 8.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 142.7 48.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -61.15 -57.46 12.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -52.71 129.15 28.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.507 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 m -142.86 156.06 44.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -153.88 167.02 31.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.83 166.44 33.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.556 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -121.57 112.27 18.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -111.88 168.15 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.95 155.34 6.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -154.13 154.73 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.8 pt -99.13 134.34 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.59 -115.23 5.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -117.63 145.46 44.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.96 132.97 39.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -118.54 126.58 52.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -113.35 132.58 55.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.812 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.26 158.68 76.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.565 0.698 . . . . 0.0 110.933 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.68 110.75 2.61 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.03 128.28 23.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.84 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.08 -29.69 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 25.5 tptt -69.41 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 -67.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.96 53.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 p -138.24 138.97 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.69 110.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.556 HG21 ' CB ' ' A' ' 29' ' ' PHE . 96.6 mt -68.51 102.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.2 p -104.65 108.41 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.95 -158.77 14.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 p -55.06 138.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CB ' HG21 ' A' ' 25' ' ' ILE . 6.8 p90 -158.61 166.11 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.652 HG23 ' HA ' ' A' ' 39' ' ' PRO . 21.2 t -102.23 103.75 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.9 tmtm? -76.03 113.02 13.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 56' ' ' HIS . 91.6 mt -81.86 165.29 20.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' LEU . 43.3 mtt180 -32.0 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.99 5.01 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 28.5 mmm-85 -122.76 174.47 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.603 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 76.1 m80 -133.72 144.72 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 37' ' ' ARG . 10.6 mtt-85 -149.75 159.72 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 10.2 m80 -68.45 163.77 50.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.652 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.83 -13.56 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.6 pt-20 -113.38 -25.41 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 73.3 m -79.42 -5.77 55.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 17.3 t80 -73.73 9.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 40' ' ' GLU . 32.7 m -80.81 157.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.161 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.77 153.95 4.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 26.6 m -86.97 -33.91 19.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 3.7 t70 -67.76 -66.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.68 -62.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.88 54.0 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.3 t -107.66 148.63 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -58.6 109.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 65' ' ' CYS . 49.9 mt -88.11 14.81 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.48 -54.28 45.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.63 -49.4 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -48.63 -56.55 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.64 155.44 9.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.556 ' CE1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -114.31 153.9 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -122.47 166.19 15.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -113.37 110.72 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 72' ' ' ARG . 71.5 t -141.43 121.86 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 52.44 41.3 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 62.22 32.06 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -132.31 175.15 9.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.4 pt -122.71 138.9 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.575 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 52.4 m-85 -148.94 172.64 14.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' GLU . 22.5 p -88.88 144.15 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.6 tt0 -35.48 -43.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -54.34 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.8 m170 -67.81 -56.03 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.2 -59.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -48.07 -45.23 32.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.51 -34.4 77.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.575 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 13.7 mtp85 -69.21 -55.21 11.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p -62.68 -34.37 65.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 t -74.89 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.87 123.67 0.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -13.31 34.61 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.317 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 m -123.64 111.16 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -94.98 126.49 40.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.071 -0.849 . . . . 0.0 112.497 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -152.09 144.86 24.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -129.97 138.7 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.16 49.05 64.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -111.83 -37.78 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -150.97 115.12 5.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.48 135.74 2.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.6 p -109.08 142.21 40.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 mt -137.26 151.03 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.61 91.74 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -146.41 123.4 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.16 -44.49 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -65.96 159.26 26.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.35 175.23 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -105.98 150.73 39.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.76 109.2 2.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.71 144.07 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.7 t -86.82 121.48 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.89 -33.17 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 6.3 tppt? -65.62 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -88.21 -65.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.53 41.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.8 p -128.06 131.23 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.72 111.65 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.434 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.765 HG21 ' HB3' ' A' ' 29' ' ' PHE . 11.5 mt -68.09 150.89 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.5 p -133.7 123.44 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.89 -144.11 23.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.55 136.78 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.765 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.6 p90 -167.81 163.04 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG12 HD22 ' A' ' 32' ' ' LEU . 55.5 t -84.29 101.99 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HE3' ' CE1' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -83.03 103.8 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD22 HG12 ' A' ' 30' ' ' VAL . 1.8 mm? -82.36 162.55 22.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 41.6 mtt180 -33.3 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.99 11.98 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 18.9 mmt180 -128.77 174.48 9.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.59 ' CE1' ' HE3' ' A' ' 31' ' ' LYS . 71.1 m-70 -138.53 152.7 48.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.723 ' CZ ' HG21 ' A' ' 63' ' ' ILE . 16.0 mtm-85 -157.09 174.89 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.477 ' CD2' HG23 ' A' ' 25' ' ' ILE . 18.6 m80 -94.08 160.14 32.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.8 pt-20 -116.88 -32.93 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 55.2 m -76.26 -23.83 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -43.77 -21.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 40' ' ' GLU . 18.3 m -53.48 149.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.6 t -52.02 157.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 96.5 m -92.89 -33.48 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.3 m-20 -68.67 -61.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.37 -59.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.71 53.75 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.4 t -113.93 148.19 37.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.42 113.67 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 65' ' ' CYS . 34.1 mt -94.3 14.24 20.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -41.26 -59.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 54' ' ' LYS . 14.6 mm100 -97.42 -55.72 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.3 mttm -32.84 -66.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.79 166.24 11.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -133.13 170.67 15.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -140.36 155.23 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -97.7 113.72 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -140.71 118.34 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 54.09 40.51 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.38 31.95 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -133.93 177.66 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.723 HG21 ' CZ ' ' A' ' 37' ' ' ARG . 7.1 pt -126.09 139.91 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 78.9 m-85 -147.71 168.29 22.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.563 ' HB3' HD21 ' A' ' 51' ' ' LEU . 25.1 p -81.26 139.57 35.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' CYS . 24.9 tt0 -35.15 -41.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' ALA . 4.3 m80 -64.67 -55.39 20.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.44 -61.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -45.68 -50.1 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.8 -40.38 75.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.8 t -44.38 -59.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.3 t -64.93 176.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -129.09 146.04 16.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -43.49 2.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -144.67 148.16 33.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -69.47 167.63 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -139.41 115.33 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -76.95 148.26 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.45 133.05 5.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -92.95 154.88 17.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -70.09 174.18 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.33 132.97 8.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -127.53 130.31 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -120.75 137.41 54.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.12 -124.19 3.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.503 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -103.23 129.1 50.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.81 -44.58 40.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -140.68 143.37 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -97.4 17.96 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.39 137.97 13.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.76 94.16 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.644 2.229 . . . . 0.0 112.376 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.7 ptm -59.99 126.84 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.5 t -52.17 144.02 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -83.67 -35.19 24.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 30.7 tptt -60.61 -67.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 p -79.63 -62.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -136.18 146.3 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 116.0 5.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.666 HG21 ' HB3' ' A' ' 29' ' ' PHE . 89.8 mt -72.14 135.98 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.6 p -130.63 118.42 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -135.42 12.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.37 144.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' A' ' 25' ' ' ILE . 22.1 p90 -168.21 161.7 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 39' ' ' PRO . 90.2 t -96.2 102.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.597 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.62 109.01 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' ARG . 86.5 mt -81.55 164.06 22.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 32' ' ' LEU . 2.1 mpt_? -32.02 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 18.1 t70 -117.98 10.57 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 31.6 mmt180 -129.34 174.49 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.597 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 58.7 m80 -139.41 137.19 35.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -143.96 169.67 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 15.1 m80 -77.96 163.33 63.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.6 Cg_endo -69.72 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 pt-20 -115.31 -29.61 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.4 m -79.67 -5.79 55.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 20.4 t80 -74.43 8.73 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 50' ' ' ASN . 35.4 m -78.73 167.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -59.27 150.37 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.419 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 94.9 m -84.04 -32.85 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 9.9 t70 -69.21 -66.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.56 -64.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.59 54.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -108.55 150.14 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.433 ' HA ' HG12 ' A' ' 43' ' ' VAL . 2.6 t-20 -57.4 114.58 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 34.0 mt -98.64 13.19 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.4 -59.23 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -93.35 -47.47 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -44.25 -62.79 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.43 154.03 8.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.402 ' CE1' HD22 ' A' ' 32' ' ' LEU . 3.9 p-80 -122.33 153.75 38.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -126.98 170.5 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -112.38 116.41 30.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 72' ' ' ARG . 61.4 t -144.31 114.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 58.09 40.31 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 64.15 32.07 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -133.36 176.61 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.8 pt -124.98 135.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 69.1 m-85 -142.31 176.18 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 2.9 p -95.15 141.28 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 65' ' ' CYS . 41.1 tt0 -32.71 -39.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 tmtp? -55.58 -58.66 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' ND1' ' HB3' ' A' ' 46' ' ' ASP . 12.3 m170 -73.83 -48.96 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.66 -61.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 70' ' ' ARG . 6.8 ptt180 -50.54 -25.74 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.37 -22.14 25.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.613 ' HB3' HG11 ' A' ' 59' ' ' VAL . 17.3 mtp85 -87.85 -34.64 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 74' ' ' SER . 13.6 m -59.17 -48.68 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 73' ' ' VAL . 53.7 p -87.12 164.43 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.76 -131.24 0.24 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 151.39 69.34 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.248 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.7 p -48.46 -46.2 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -95.78 145.17 25.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.523 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -62.0 141.48 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 t -87.27 167.56 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.56 61.11 0.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 m -102.92 176.0 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.806 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -84.92 -51.74 6.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.71 -75.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -140.39 157.84 44.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' GLY . 38.4 pt -110.53 143.44 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . 35.5 -124.92 0.7 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -120.78 156.27 32.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.09 110.85 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.501 ' C ' ' CG ' ' A' ' 14' ' ' LYS . 6.4 pt20 -141.66 154.45 45.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' CG ' ' C ' ' A' ' 13' ' ' GLN . 1.1 ptpt 47.56 37.3 6.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.947 HD13 ' O ' ' A' ' 25' ' ' ILE . 22.4 mt -122.95 148.93 55.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 109.65 2.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mtt -61.46 132.53 53.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.11 147.19 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.5 ' HB3' ' CG ' ' A' ' 37' ' ' ARG . 36.0 t0 -84.73 -32.21 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 18.0 tptp -69.83 -69.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.73 -65.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.6 48.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.9 p -130.06 134.46 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.163 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.88 108.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.947 ' O ' HD13 ' A' ' 15' ' ' LEU . 57.3 mt -66.8 144.78 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -137.71 118.61 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.67 -128.99 9.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.425 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.587 HG13 ' HG3' ' A' ' 39' ' ' PRO . 4.4 p -73.45 141.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.809 ' HB3' HG21 ' A' ' 25' ' ' ILE . 31.2 p90 -164.93 157.77 16.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 39' ' ' PRO . 42.4 t -91.95 102.07 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HD3' ' C ' ' A' ' 31' ' ' LYS . 2.9 tmtp? -75.3 102.05 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 22.8 mt -96.11 169.96 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.619 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.9 mmt-85 -51.97 124.97 14.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.8 m-20 32.66 28.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 33' ' ' ARG . 24.9 mmt180 -137.88 173.25 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -149.97 129.84 13.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 8.6 mtt85 -143.65 165.47 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.8 m80 -80.01 161.69 64.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.587 ' HG3' HG13 ' A' ' 28' ' ' VAL . 53.7 Cg_endo -69.74 -9.69 26.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.91 -24.42 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 71.9 m -82.02 -3.85 55.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 12.6 t80 -73.43 5.5 3.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -73.22 159.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.34 153.38 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 ' NE2' ' A' ' 62' ' ' GLN . 85.5 m -87.68 -34.59 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 20.2 t0 -67.21 -66.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.3 -62.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.84 54.81 0.25 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -111.09 148.86 31.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -57.08 116.4 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 65' ' ' CYS . 42.0 mt -97.5 11.81 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -56.49 -58.95 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -85.59 -59.6 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -46.45 -45.39 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.17 168.71 20.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.26 159.89 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -129.17 154.97 46.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.33 112.36 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.52 112.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 60.39 42.42 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.21 32.04 19.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' NE2' HG21 ' A' ' 45' ' ' THR . 16.3 mt-30 -134.04 178.03 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.91 137.71 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 58.7 m-85 -143.39 174.47 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' GLU . 20.8 p -88.94 145.29 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' CYS . 34.7 tt0 -36.21 -42.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -57.41 -58.69 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 4.7 m170 -65.73 -60.4 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -37.88 -39.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -67.01 -44.98 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' HIS . 5.8 pt-20 -70.48 -29.49 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.559 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 14.2 mtp85 -65.39 -50.53 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.4 t -59.81 -57.98 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -102.58 127.38 49.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.17 -142.63 10.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 178.19 4.81 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.67 2.246 . . . . 0.0 112.384 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.8 p -125.84 131.67 52.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -84.2 147.11 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.524 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m -81.74 143.07 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -137.41 162.54 33.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.05 -115.72 0.66 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.523 ' HB2' HG11 ' A' ' 26' ' ' VAL . 19.5 p 51.97 39.76 26.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -117.25 134.37 54.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.47 139.98 3.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.5 p -59.02 -47.36 85.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.9 tt -131.29 118.2 39.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.7 90.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -138.52 139.59 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' HD11 ' A' ' 15' ' ' LEU . . . -72.24 165.42 24.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -73.63 -62.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -123.22 136.61 54.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 12' ' ' ALA . 10.4 mt -145.66 143.57 20.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.579 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.79 94.35 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -53.49 128.74 29.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.0 t -52.14 158.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' CB ' HH21 ' A' ' 35' ' ' ARG . 39.7 t0 -98.91 -42.75 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -60.58 -60.7 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 p -90.0 -58.06 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.25 58.05 0.5 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -137.52 142.86 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.85 110.52 0.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.585 HG21 ' CB ' ' A' ' 29' ' ' PHE . 95.9 mt -67.36 142.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 5' ' ' SER . 7.5 p -136.35 129.5 46.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.23 -136.53 17.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.96 143.83 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CB ' HG21 ' A' ' 25' ' ' ILE . 21.8 p90 -168.03 165.86 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' A' ' 39' ' ' PRO . 86.2 t -95.9 107.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -84.04 123.1 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' CE1' ' A' ' 56' ' ' HIS . 78.3 mt -98.88 165.87 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.04 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -118.08 -2.74 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.9 mmm180 -113.83 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.585 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 62.1 m80 -143.05 147.23 34.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -148.57 175.5 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 11.7 m80 -84.9 163.11 47.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.528 ' HA ' HG23 ' A' ' 30' ' ' VAL . 54.0 Cg_endo -69.75 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.2 pt-20 -115.01 -28.6 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.2 m -76.75 -28.58 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -44.18 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 40' ' ' GLU . 27.8 m -52.09 161.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 45' ' ' THR . 41.4 t -55.08 162.59 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.403 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 95.3 m -90.2 -38.65 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 9.8 t0 -65.9 -65.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.19 -61.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.436 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 113.98 50.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -103.34 149.55 24.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.44 117.47 4.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 65' ' ' CYS . 19.2 mt -103.15 15.01 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -42.44 -55.87 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' LYS . 76.4 mt-30 -98.02 -58.44 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' GLN . 51.5 mttm -33.54 -48.71 0.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.68 168.66 19.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.542 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.622 ' CD2' HG22 ' A' ' 63' ' ' ILE . 3.3 p-80 -133.19 156.21 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 40.8 m-85 -118.97 166.74 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -113.69 111.56 22.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 1.016 HG13 ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -154.04 126.48 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 59.38 40.28 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 t70 54.97 31.98 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -135.5 178.0 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.622 HG22 ' CD2' ' A' ' 56' ' ' HIS . 5.2 pt -128.9 130.96 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 1.016 ' CE2' HG13 ' A' ' 59' ' ' VAL . 7.3 m-85 -133.12 176.58 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.635 ' HB3' HD21 ' A' ' 51' ' ' LEU . 15.7 p -89.98 141.12 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.558 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 51.7 tt0 -32.05 -36.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 13.2 ttmm -63.76 -58.59 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 29.7 m170 -69.45 -43.94 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.53 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 21.3 ptt180 -49.93 -37.03 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 34.1 mt-10 -67.6 -39.1 84.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -76.16 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.6 t -45.18 -48.28 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.1 t -82.17 132.29 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.43 -153.04 23.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 -30.35 22.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -81.34 174.58 11.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.6 p -79.04 134.05 36.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.437 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p -58.98 137.35 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -93.32 -52.63 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.14 -177.69 18.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -125.17 155.23 40.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -92.27 -56.79 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.76 115.24 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.1 t -78.76 -56.7 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.715 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -100.26 145.03 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.26 154.8 22.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.51 153.33 35.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' GLN . . . -95.26 -41.23 9.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' ALA . 14.9 mm-40 -36.15 -40.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -59.03 139.62 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.832 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.62 158.82 86.74 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.72 109.85 2.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.361 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 22' ' ' GLY . 5.2 mtt -52.04 125.75 16.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 2.9 t -60.72 153.66 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.01 -47.75 60.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -56.18 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -68.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 17' ' ' MET . . . 102.12 44.4 1.89 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -97.99 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 111.121 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.52 97.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 29' ' ' PHE . 60.4 mt -55.81 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.04 130.38 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -147.34 45.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 p -52.0 149.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.56 ' HB3' HG23 ' A' ' 25' ' ' ILE . 16.6 p90 -165.54 175.81 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 39' ' ' PRO . 25.0 t -118.03 102.03 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.612 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.6 tmtt? -76.46 115.14 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 56' ' ' HIS . 79.1 mt -80.99 166.43 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -31.96 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' O ' ' NE ' ' A' ' 35' ' ' ARG . 75.9 m-20 -117.92 9.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 34' ' ' ASP . 16.1 mmp_? -128.38 173.73 9.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.612 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 60.6 m80 -131.97 146.23 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' NH2' HG12 ' A' ' 63' ' ' ILE . 11.2 mtt180 -153.06 147.4 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 22.2 m170 -56.86 161.07 5.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.628 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.78 -7.41 21.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -117.64 -23.93 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.0 m -82.18 -8.28 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -70.94 5.39 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -78.63 159.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -54.58 152.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.452 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 90.4 m -85.83 -32.39 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.6 t0 -69.15 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -94.77 -64.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.74 54.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -104.89 148.75 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.74 107.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 65' ' ' CYS . 45.4 mt -90.52 11.88 20.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -46.95 -55.96 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.86 -56.21 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -39.84 -48.52 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 163.42 19.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.6 ' CE1' HD22 ' A' ' 32' ' ' LEU . 6.1 p-80 -126.89 164.31 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -126.95 167.2 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -113.25 110.49 20.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.429 ' CG1' ' HE ' ' A' ' 72' ' ' ARG . 60.3 t -141.13 118.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t70 62.79 32.04 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -132.93 174.34 10.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.428 HG12 ' NH2' ' A' ' 37' ' ' ARG . 11.9 pt -123.51 140.33 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.452 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 58.9 m-85 -148.37 175.23 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.527 ' HB3' HD21 ' A' ' 51' ' ' LEU . 26.7 p -94.89 141.07 29.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' CYS . 43.2 tt0 -33.52 -40.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -57.74 -49.59 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 9.4 m170 -81.88 -52.76 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -43.94 -54.94 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -51.54 -34.63 37.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -72.53 -31.71 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 74' ' ' SER . 29.9 mtp85 -73.54 -48.88 29.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 69' ' ' ALA . 0.8 OUTLIER -36.13 -31.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ARG . 15.1 t -43.84 -47.01 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 126.95 148.55 7.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 154.14 68.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.1 p -82.08 158.68 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.6 p -52.1 123.25 10.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.484 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -147.6 149.89 33.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -149.19 144.42 26.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.58 -101.72 2.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 55.91 42.08 29.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -127.52 147.35 50.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.75 135.83 4.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -80.79 143.51 32.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -108.56 -37.6 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.11 -179.63 1.12 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.479 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -121.42 123.74 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.51 135.1 22.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.082 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 62.23 41.75 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 145.33 45.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 25' ' ' ILE . 67.7 mt -69.33 147.95 97.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 54.0 Cg_endo -69.77 105.56 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.96 115.32 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 33.9 t -52.05 161.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 1.1 t0 -97.97 -45.26 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.01 -58.53 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -95.53 -63.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 23' ' ' THR . . . 114.38 69.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 22' ' ' GLY . 38.0 p -157.53 132.37 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.1 122.34 3.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.797 HG21 ' HB3' ' A' ' 29' ' ' PHE . 14.8 mt -80.53 161.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.8 p -131.75 123.88 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.38 -139.91 26.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.35 132.54 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.797 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.1 p90 -165.33 157.57 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.6 HG11 ' HB2' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -80.05 131.68 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -112.74 102.84 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' ARG . 58.5 mt -81.03 166.85 20.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -31.96 -73.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.98 9.06 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.3 mmt85 -130.08 173.82 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.589 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 36.0 m80 -137.46 153.38 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.871 ' NH1' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -147.59 165.04 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.499 ' NE2' HG12 ' A' ' 25' ' ' ILE . 26.9 m80 -79.41 158.21 74.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.1 27.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.323 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -112.97 -22.47 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.45 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 87.5 m -83.12 -29.83 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.6 ' HB2' HG11 ' A' ' 30' ' ' VAL . 22.6 t80 -43.46 -22.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.8 m -52.33 155.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.06 138.99 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.441 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 17.1 m -75.41 -26.95 58.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.603 ' OD1' ' CE1' ' A' ' 68' ' ' HIS . 11.1 t70 -71.57 -66.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.03 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.4 49.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -108.53 137.87 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -57.53 116.27 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 16.5 mt -93.19 9.41 36.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -45.11 -49.9 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -97.87 -54.72 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -45.23 -50.66 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.68 153.76 11.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 56' ' ' HIS . 2.0 p-80 -114.02 145.72 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 14.4 m-85 -112.25 150.31 31.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -96.13 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.57 111.28 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 59.08 42.76 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 62.46 32.02 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -132.42 171.49 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.871 HD11 ' NH1' ' A' ' 37' ' ' ARG . 6.6 pt -121.57 138.16 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.441 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 80.9 m-85 -147.12 174.1 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.1 p -90.55 150.87 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -42.44 -42.49 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.13 -66.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.603 ' CE1' ' OD1' ' A' ' 46' ' ' ASP . 6.0 m80 -61.8 -56.81 15.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.58 -61.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -43.09 -47.62 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -60.9 -37.47 82.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -69.48 -56.55 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 p -58.31 -29.67 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.3 t -74.61 -42.92 57.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.91 -156.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 134.39 27.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.385 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -165.87 152.82 9.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.4 m -153.98 164.11 38.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.486 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -127.7 136.42 51.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -161.89 160.67 28.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.72 91.71 1.51 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -52.48 150.74 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -157.42 164.48 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.86 42.41 0.59 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.4 m -86.67 -48.34 8.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.4 pt -77.01 135.61 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.12 -57.3 0.42 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.536 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -62.28 106.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.96 168.04 19.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -124.32 166.71 15.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 146.7 23.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt -138.83 146.2 49.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.6 Cg_endo -69.76 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtt -52.45 135.27 33.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 48.9 t -54.78 149.74 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -28.07 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' CYS . 7.9 tmtm? -70.83 -65.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.5 p -91.93 -54.02 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.56 72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.3 p -154.0 132.86 12.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.26 131.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.58 HG21 ' CB ' ' A' ' 29' ' ' PHE . 97.2 mt -94.99 148.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.7 p -143.85 138.97 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 64.58 -143.54 47.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.46 133.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CB ' HG21 ' A' ' 25' ' ' ILE . 3.2 p90 -166.04 159.36 15.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.603 HG22 ' H ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -78.9 128.25 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.542 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -111.44 104.9 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 37' ' ' ARG . 28.0 mt -85.47 167.39 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' LEU . 63.4 mtt85 -31.96 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -117.89 4.85 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.7 mmt85 -123.71 171.58 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 9.0 m80 -140.79 148.55 40.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.738 ' CZ ' HD13 ' A' ' 63' ' ' ILE . 4.5 mtm-85 -145.43 170.17 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 19.5 m80 -82.58 159.81 63.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.59 34.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.718 2.278 . . . . 0.0 112.316 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -112.28 -17.84 12.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 85.1 m -92.41 3.03 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.427 ' HB2' HG11 ' A' ' 30' ' ' VAL . 19.1 t80 -78.07 17.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.429 ' HB ' ' C ' ' A' ' 48' ' ' GLY . 31.5 m -81.64 154.31 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.469 ' HB2' HD21 ' A' ' 51' ' ' LEU . 36.0 t -55.88 127.45 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -61.41 -29.83 70.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 10.5 t0 -69.76 -67.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.81 -63.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 124.16 52.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -112.56 140.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -54.59 109.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 65' ' ' CYS . 31.4 mt -90.04 10.93 22.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -43.87 -58.28 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.35 -42.85 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -52.86 -44.62 66.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.82 149.88 25.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.561 ' CE1' HD22 ' A' ' 32' ' ' LEU . 13.5 p-80 -111.28 164.34 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 8.3 m-85 -127.05 168.62 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -111.98 113.05 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.596 HG11 ' HB3' ' A' ' 72' ' ' ARG . 57.9 t -140.73 119.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 52.22 44.38 29.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 61.0 32.05 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -133.43 177.18 7.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.738 HD13 ' CZ ' ' A' ' 37' ' ' ARG . 6.6 pt -124.97 147.28 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -156.13 172.06 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.625 ' HB3' HD21 ' A' ' 51' ' ' LEU . 27.5 p -86.7 138.35 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.8 tt0 -32.69 -45.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -65.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' ALA . 8.1 m170 -63.47 -54.74 31.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' ARG . . . -33.87 -64.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 53.7 mtp180 -39.35 -46.65 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.38 -36.39 80.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.596 ' HB3' HG11 ' A' ' 59' ' ' VAL . 26.3 mtt85 -78.04 -58.25 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 69' ' ' ALA . 7.5 p -58.38 -27.32 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 t -137.63 118.46 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.64 156.84 22.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.65 3.31 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.62 -52.44 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -66.16 165.05 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.438 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -163.17 156.25 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -153.46 135.28 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.56 143.5 17.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 m -130.55 135.18 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.5 m -91.28 159.5 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.72 98.22 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -60.73 132.87 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.7 pp -106.06 166.24 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.82 51.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -151.77 118.11 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.372 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.86 166.01 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.9 163.09 20.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -82.86 18.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 25' ' ' ILE . 46.3 mt -122.16 138.45 28.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.594 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 53.6 Cg_endo -69.77 112.6 3.12 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mtt -64.59 115.63 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 9.0 t -57.3 143.75 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 16.6 t0 -79.73 -36.5 37.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 8.1 tptp -59.28 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.6 -69.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.65 56.31 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 p -141.27 131.38 24.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.03 123.54 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.738 HG21 ' HB3' ' A' ' 29' ' ' PHE . 6.4 mt -84.0 154.98 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -122.74 120.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -134.58 16.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.77 134.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.738 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.1 p90 -168.04 153.13 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -76.03 135.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -116.77 102.39 9.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' ARG . 88.6 mt -81.6 167.48 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -31.96 -73.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.97 7.24 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.4 mmt180 -127.24 174.52 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 23.2 m80 -139.48 152.17 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.636 ' H ' HG22 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -145.98 166.02 27.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.596 ' CD2' HG12 ' A' ' 25' ' ' ILE . 25.1 m80 -78.6 156.55 77.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -5.99 17.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.72 -25.12 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 75.7 m -81.44 -26.8 35.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB2' HG11 ' A' ' 30' ' ' VAL . 29.3 t80 -45.34 -21.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -54.3 154.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.492 ' HB2' HD21 ' A' ' 51' ' ' LEU . 51.4 t -51.94 145.9 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.6 m -82.31 -28.88 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 20.1 t0 -73.04 -64.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 p -92.65 -66.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.11 44.94 0.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.53 139.2 41.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -55.53 114.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 44' ' ' CYS . 32.6 mt -87.23 14.27 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -50.88 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -90.42 -43.39 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.02 -42.86 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.68 145.27 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.496 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 1.4 p-80 -108.15 161.66 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 11.3 m-85 -128.36 171.39 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -114.59 109.97 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 72' ' ' ARG . 96.8 t -141.19 113.45 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 58.63 41.67 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t0 62.75 32.01 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.46 176.52 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.465 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 7.0 pt -126.85 134.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -142.87 171.33 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.3 p -85.48 144.85 27.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -37.68 -43.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -55.33 -64.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.5 m170 -63.98 -55.92 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.35 -65.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -39.95 -50.29 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -55.21 -40.3 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 73' ' ' VAL . 55.4 mtt85 -71.68 -50.59 29.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 72' ' ' ARG . 86.4 t -32.57 -60.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' GLY . 35.4 t -56.81 139.22 51.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' SER . . . -36.69 120.24 0.62 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 172.5 12.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.4 m -63.87 -52.51 59.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 m -145.67 106.19 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.493 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.633 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.118 0 CA-C-O 120.765 0.235 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 ptm -59.44 130.54 47.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 42.1 t -54.48 158.7 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -98.15 -41.92 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -54.32 -59.31 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.24 -56.92 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.12 56.54 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -141.29 142.16 33.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.55 119.74 6.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 16' ' ' PRO . 74.3 mt -80.2 153.58 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.415 ' N ' HG22 ' A' ' 25' ' ' ILE . 4.9 p -147.72 130.55 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.29 -137.57 16.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.7 p -67.4 139.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.512 ' HB3' HG21 ' A' ' 25' ' ' ILE . 17.4 p90 -164.97 170.74 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 39' ' ' PRO . 32.5 t -108.17 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.28 123.8 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD22 ' CE1' ' A' ' 56' ' ' HIS . 57.6 mt -92.56 166.35 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 9.1 ttt180 -31.97 -72.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.02 -1.99 11.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 26.8 mmm180 -117.05 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.601 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 44.9 m80 -137.14 147.43 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' NH1' HD13 ' A' ' 63' ' ' ILE . 20.8 mtt85 -147.09 167.42 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 25' ' ' ILE . 15.4 m80 -78.52 161.88 68.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.732 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.77 -10.59 28.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.9 pt-20 -112.16 -26.25 8.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' VAL . 71.0 m -78.68 -28.63 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.62 ' O ' HD12 ' A' ' 51' ' ' LEU . 15.7 t80 -43.55 -22.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 40' ' ' GLU . 14.1 m -54.56 159.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.47 154.81 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -88.03 -33.99 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.18 -65.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -93.83 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.25 51.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.7 t -100.77 146.31 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.102 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -61.91 104.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 42' ' ' TYR . 27.8 mt -84.38 12.88 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -50.16 -56.95 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -93.66 -48.36 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -50.73 -51.89 45.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.05 165.4 19.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.491 ' CE1' HD22 ' A' ' 32' ' ' LEU . 1.5 p-80 -120.14 152.72 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 8.9 m-85 -115.95 164.94 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -110.47 110.36 21.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.475 HG11 ' HB3' ' A' ' 72' ' ' ARG . 96.8 t -141.26 114.62 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 58.26 41.56 23.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 62.07 32.02 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -132.97 176.59 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.406 HD13 ' NH1' ' A' ' 37' ' ' ARG . 20.2 pt -126.63 135.94 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.41 170.38 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' HIS . 25.1 p -85.47 138.53 32.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.8 tt0 -33.41 -36.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' CYS . 39.4 tttp -61.73 -49.78 75.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.5 m80 -81.99 -49.74 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 73' ' ' VAL . . . -44.57 -57.36 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 2.2 ptm85 -48.78 -42.63 36.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 6.9 mm-40 -63.43 -37.22 86.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HB3' HG11 ' A' ' 59' ' ' VAL . 77.1 mtt-85 -74.46 -58.05 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 69' ' ' ALA . 6.8 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.422 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.773 0.239 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -61.24 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -52.01 156.89 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.98 -39.06 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -65.2 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -82.23 -53.92 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.65 65.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.5 p -144.62 145.99 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.15 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 112.84 2.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.49 HG12 ' CE1' ' A' ' 38' ' ' HIS . 62.3 mt -74.4 153.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.5 p -151.1 126.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.55 -135.9 14.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.51 140.44 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.433 ' HB3' HG21 ' A' ' 25' ' ' ILE . 6.9 p90 -167.63 161.92 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.3 t -92.37 102.04 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -77.05 104.99 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD11 HH11 ' A' ' 37' ' ' ARG . 78.8 mt -82.69 165.02 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' LEU . 61.2 mtt180 -32.1 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -118.01 12.33 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -128.8 174.79 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.545 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.6 m80 -140.84 143.83 35.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.497 HH11 HD11 ' A' ' 32' ' ' LEU . 10.8 mtt85 -149.76 166.86 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.49 ' CE1' HG12 ' A' ' 25' ' ' ILE . 26.8 m80 -79.05 162.04 66.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.85 -9.8 26.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.43 -28.03 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 43' ' ' VAL . 67.5 m -79.72 -2.24 42.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.512 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 12.6 t80 -69.85 6.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.779 HG12 ' HA ' ' A' ' 50' ' ' ASN . 29.4 m -72.65 160.84 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.583 ' HA ' HD11 ' A' ' 51' ' ' LEU . 50.5 t -53.82 162.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.7 m -97.57 -35.29 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 16.7 t0 -66.58 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -95.6 -56.95 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.09 51.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.4 145.31 31.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.779 ' HA ' HG12 ' A' ' 43' ' ' VAL . 10.9 t-20 -55.22 107.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 44' ' ' CYS . 28.1 mt -90.58 14.38 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -50.35 -49.77 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' LYS . 37.0 mt-30 -97.54 -60.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLN . 28.3 mtpt -35.74 -66.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.88 168.08 12.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 4.0 p-80 -130.48 154.01 48.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 7.4 m-85 -124.53 166.07 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -109.5 110.83 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.4 t -140.04 115.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 58.26 41.89 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 61.49 32.47 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -132.98 177.07 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.89 139.57 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -149.3 170.11 19.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.575 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.2 p -83.57 146.84 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -38.33 -48.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -60.97 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 71' ' ' GLU . 15.9 m170 -63.54 -62.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . . . -33.31 -45.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -61.66 -46.55 89.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 68' ' ' HIS . 4.0 pt-20 -71.46 -29.21 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -69.21 -47.09 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.79 0.246 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 mtp -62.33 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.52 157.89 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -102.57 -33.77 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 5.5 tmtm? -67.46 -63.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.03 -51.52 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.52 70.44 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.0 p -155.17 133.55 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.49 123.76 4.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 29' ' ' PHE . 58.3 mt -85.15 151.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -147.78 126.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.72 -135.83 13.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.14 136.13 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CB ' HG21 ' A' ' 25' ' ' ILE . 20.0 p90 -163.11 160.62 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 39' ' ' PRO . 40.3 t -92.14 102.04 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.26 111.5 10.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' ARG . 92.9 mt -81.93 165.2 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 10.4 ttt180 -32.05 -72.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.0 8.74 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.7 mmm180 -129.0 174.81 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.6 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 46.2 m80 -136.82 139.93 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.933 ' NH1' HD11 ' A' ' 63' ' ' ILE . 24.4 mtt180 -140.5 164.11 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CE1' HG12 ' A' ' 25' ' ' ILE . 37.2 m80 -74.15 160.16 82.22 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.437 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.4 Cg_endo -69.74 -9.09 25.26 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.71 -22.31 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' VAL . 85.0 m -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 51' ' ' LEU . 15.8 t80 -45.26 -19.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' C ' ' A' ' 41' ' ' CYS . 19.4 m -52.05 159.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.31 161.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.423 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 41.9 m -94.04 -37.05 11.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 14.1 t0 -64.69 -65.51 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -93.19 -59.52 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.77 52.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.5 t -106.29 151.02 25.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.403 ' HA ' HG12 ' A' ' 43' ' ' VAL . 23.5 m120 -61.62 116.18 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 65' ' ' CYS . 37.7 mt -98.67 1.51 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -42.48 -52.71 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 54' ' ' LYS . 10.3 mm100 -92.81 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' GLN . 40.4 mttp -36.07 -62.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.57 162.66 11.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -126.59 152.63 46.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -114.7 170.75 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -113.1 110.55 20.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -140.4 120.39 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 53.05 42.76 32.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 t0 61.25 31.97 19.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.96 177.64 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.933 HD11 ' NH1' ' A' ' 37' ' ' ARG . 9.9 pt -124.97 139.97 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 68.3 m-85 -150.06 162.27 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.7 p -77.64 142.09 39.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.0 tt0 -34.97 -44.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -55.67 -62.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ALA . 5.2 m170 -63.21 -54.43 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -35.22 -64.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -45.68 -43.85 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.13 -28.8 69.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -80.59 -55.99 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 69' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.494 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.774 0.239 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -60.5 130.29 45.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 41.8 t -52.02 156.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -96.86 -44.49 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -55.96 -64.39 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' HG ' ' HG ' ' A' ' 18' ' ' CYS . 2.0 p -83.34 -57.82 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.34 65.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 p -150.42 139.99 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.5 119.11 6.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' PHE . 78.5 mt -76.72 142.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.7 p -137.02 119.43 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.06 -130.72 10.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.03 142.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.727 ' HB3' HG21 ' A' ' 25' ' ' ILE . 32.3 p90 -168.39 168.04 11.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.84 104.96 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 6.8 tmtt? -76.99 112.43 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.606 HD11 HH11 ' A' ' 37' ' ' ARG . 89.7 mt -81.83 166.78 19.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.01 -72.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -117.99 -1.24 11.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 17.9 mmt-85 -117.77 175.79 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.603 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 43.9 m80 -139.65 139.91 36.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.606 HH11 HD11 ' A' ' 32' ' ' LEU . 25.6 mtt85 -141.4 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 21.0 m80 -82.33 163.15 53.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.2 Cg_endo -69.78 -11.3 30.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -111.96 -26.87 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -85.44 -3.21 58.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 13.6 t80 -74.86 8.77 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.8 161.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -52.32 152.49 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.692 HG21 ' NE2' ' A' ' 62' ' ' GLN . 91.3 m -86.92 -34.85 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -92.62 -63.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.08 52.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -104.27 160.91 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 111.105 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.42 121.88 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -107.4 10.01 29.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -46.55 -51.05 16.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -97.98 -56.53 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -43.88 -48.6 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 157.56 26.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.873 ' CD2' HG22 ' A' ' 63' ' ' ILE . 2.4 p-80 -114.28 159.09 20.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -119.02 161.18 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -103.14 114.41 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -142.86 115.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 55.95 42.36 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 61.73 31.96 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.692 ' NE2' HG21 ' A' ' 45' ' ' THR . 10.0 mt-30 -133.58 177.62 7.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.873 HG22 ' CD2' ' A' ' 56' ' ' HIS . 8.1 pt -127.15 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -149.49 173.63 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . 10.9 p -91.38 140.02 30.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 25.6 tt0 -33.97 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -56.36 -48.53 76.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 8.5 m170 -85.16 -49.35 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.677 ' O ' HG12 ' A' ' 73' ' ' VAL . . . -44.24 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 10.0 ptm180 -61.12 -35.76 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 38.2 mt-10 -75.19 -31.47 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -72.42 -57.64 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 69' ' ' ALA . 2.3 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.679 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.787 0.245 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ptp -56.51 139.03 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 49.1 t -62.27 134.29 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.96 -37.33 64.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 16.7 tptp -56.01 -65.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -68.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.42 61.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -149.38 133.43 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.02 125.37 2.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 16' ' ' PRO . 85.1 mt -84.85 142.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 26' ' ' VAL . 11.1 p -131.3 122.74 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.07 -143.87 18.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.67 145.0 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.67 ' HB3' HG21 ' A' ' 25' ' ' ILE . 8.5 p90 -166.5 169.82 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG12 HD22 ' A' ' 32' ' ' LEU . 77.4 t -98.99 102.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -78.19 104.21 8.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.65 HD22 HG12 ' A' ' 30' ' ' VAL . 4.2 mm? -82.23 162.67 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.6 mtt85 -32.61 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.07 11.99 13.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -128.72 174.67 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.586 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 78.0 m80 -143.2 135.78 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 46.7 mtt180 -141.64 169.71 17.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 12.4 m80 -77.02 162.16 70.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.8 Cg_endo -69.79 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.35 -28.19 6.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.2 m -82.03 -0.93 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 19.8 t80 -74.56 8.7 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 50' ' ' ASN . 33.4 m -82.67 156.2 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.95 156.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.491 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.4 m -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' CG ' ' NE2' ' A' ' 68' ' ' HIS . 7.1 t70 -67.12 -66.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.52 -60.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.89 49.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -103.05 152.93 20.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.44 ' HA ' HG12 ' A' ' 43' ' ' VAL . 14.6 m120 -69.91 111.01 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 65' ' ' CYS . 21.9 mt -88.4 15.54 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -46.0 -52.71 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.71 -37.66 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -49.4 -47.83 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.51 151.56 9.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.458 ' CE1' ' CD1' ' A' ' 32' ' ' LEU . 7.8 p-80 -121.67 166.24 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.44 149.21 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -95.18 111.66 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.496 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 84.1 t -141.53 108.81 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 64.24 39.98 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.94 31.98 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -133.74 176.3 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.47 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 10.6 pt -122.05 140.43 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 59' ' ' VAL . 29.8 m-85 -145.92 176.1 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.565 ' HB3' HD21 ' A' ' 51' ' ' LEU . 15.9 p -98.34 141.46 31.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.2 tt0 -33.22 -45.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -51.3 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.501 ' NE2' ' CG ' ' A' ' 46' ' ' ASP . 8.5 m80 -70.27 -55.41 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.53 -60.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -47.9 -45.76 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.53 -38.79 88.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -68.44 -56.87 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 69' ' ' ALA . 7.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.75 0.229 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -68.86 130.72 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 47.1 t -56.74 164.04 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.26 -43.25 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -66.08 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -75.92 -46.81 28.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 92.2 55.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -136.8 136.67 39.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.95 108.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' A' ' 29' ' ' PHE . 26.3 mt -67.37 137.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.8 p -130.96 117.29 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.73 -131.91 10.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.93 146.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.775 ' HB3' HG21 ' A' ' 25' ' ' ILE . 35.9 p90 -168.11 161.95 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -99.03 102.04 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.592 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.04 110.48 11.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 37' ' ' ARG . 52.4 mt -82.51 167.26 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.558 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 60.0 mtt180 -31.99 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -118.01 3.91 12.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.4 mmm180 -121.25 173.87 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.592 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 74.6 m80 -134.65 151.72 51.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 1.081 ' NH2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -156.34 169.79 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.3 m80 -85.08 163.92 43.65 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.555 0.693 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.7 -6.46 18.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' HG13 ' A' ' 43' ' ' VAL . 18.3 mt-10 -118.03 -30.59 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 43' ' ' VAL . 62.5 m -77.11 -2.07 32.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 8.7 t80 -74.52 14.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 40' ' ' GLU . 33.5 m -78.37 154.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.457 ' HB2' HD21 ' A' ' 51' ' ' LEU . 43.4 t -52.1 161.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -90.52 -38.98 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 7.7 t70 -65.12 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -90.17 -60.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.51 57.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -113.69 151.23 32.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -57.15 108.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 65' ' ' CYS . 28.1 mt -89.64 16.49 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 53' ' ' GLN . 4.6 tmmm? -58.9 -58.91 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' N ' ' HD2' ' A' ' 52' ' ' LYS . 52.4 mt-30 -79.52 -64.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -45.04 -59.02 2.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.41 171.14 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -128.76 156.4 43.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 12.3 m-85 -121.15 167.39 12.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 12.1 m-85 -112.83 110.84 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 63.1 t -140.31 120.08 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 55.98 43.81 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t0 59.37 32.01 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -132.78 176.07 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.081 HD13 ' NH2' ' A' ' 37' ' ' ARG . 6.6 pt -124.16 140.04 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -148.98 161.41 41.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.521 ' HB3' HD21 ' A' ' 51' ' ' LEU . 9.0 p -75.77 141.84 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 23.2 tt0 -34.33 -45.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.37 -61.91 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 9.0 m170 -61.14 -55.84 27.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.29 -62.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -45.53 -50.88 12.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -52.93 -42.36 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -63.18 -57.35 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.755 0.231 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 24' ' ' GLY . 1.8 mmt -59.52 141.02 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 t -72.78 135.34 45.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.9 -32.62 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 11.6 tptm -68.18 -63.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.99 -69.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.55 47.28 0.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.7 p -135.13 132.08 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' N ' ' SD ' ' A' ' 17' ' ' MET . . . -40.58 126.59 2.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.579 HG21 ' HB3' ' A' ' 29' ' ' PHE . 44.0 mt -87.54 154.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.4 p -144.18 130.93 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 79.08 -142.97 25.82 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.551 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.07 139.6 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.579 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.0 p90 -167.06 170.36 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.617 HG12 HD22 ' A' ' 32' ' ' LEU . 66.2 t -102.29 101.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.604 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -83.31 106.94 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.617 HD22 HG12 ' A' ' 30' ' ' VAL . 3.7 mm? -84.39 162.03 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.4 ttt-85 -32.26 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.05 12.49 13.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 35' ' ' ARG . 8.8 mmt180 -128.55 172.95 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.604 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.7 m80 -143.72 136.38 27.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 50.2 mtt180 -146.81 156.97 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.451 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.6 m80 -66.27 163.05 42.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.3 Cg_endo -69.8 -9.97 27.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.5 pt-20 -110.39 -31.4 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 61.2 m -75.9 -23.48 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.51 ' O ' HD12 ' A' ' 63' ' ' ILE . 13.5 t80 -43.51 -21.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 40' ' ' GLU . 17.3 m -52.49 157.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.03 151.61 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.446 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 88.5 m -88.25 -33.5 18.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.43 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 15.2 t0 -67.85 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -95.94 -63.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.37 46.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.7 t -101.55 142.07 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.97 109.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 28.7 mt -88.69 16.23 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.44 -47.33 84.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -98.58 -41.63 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -62.91 -56.18 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.19 159.85 10.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.448 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 9.7 p-80 -124.39 160.97 26.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.36 151.83 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -95.73 110.17 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 72' ' ' ARG . 60.9 t -140.87 115.25 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 58.26 40.96 24.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t70 62.66 32.03 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -133.41 173.6 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 42' ' ' TYR . 8.3 pt -120.66 140.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.446 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 60.6 m-85 -151.11 169.15 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.9 p -85.75 147.93 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -40.14 -43.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -55.6 -66.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.43 ' ND1' ' HB3' ' A' ' 46' ' ' ASP . 17.2 m170 -62.22 -56.55 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.34 -55.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -52.73 -45.64 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' HIS . 41.7 mt-10 -60.44 -35.52 76.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.531 ' HD3' HG11 ' A' ' 59' ' ' VAL . 5.8 mtp85 -63.32 -53.94 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.771 0.238 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.56 120.78 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 40.8 t -53.62 133.13 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.99 -37.81 84.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 15.8 tptp -58.68 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -69.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.28 50.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -135.89 139.5 43.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 111.16 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.73 113.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.617 HG21 ' CB ' ' A' ' 29' ' ' PHE . 85.4 mt -74.81 102.15 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 26' ' ' VAL . 3.6 p -99.59 117.61 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.73 -150.17 17.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -64.51 148.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.617 ' CB ' HG21 ' A' ' 25' ' ' ILE . 22.4 p90 -168.62 173.4 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.642 HG23 ' HA ' ' A' ' 39' ' ' PRO . 16.5 t -103.95 104.64 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.598 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -76.63 110.18 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' ARG . 90.6 mt -82.35 163.39 21.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.44 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.03 11.51 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -128.89 174.2 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.598 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 70.3 m80 -140.36 138.88 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' NH1' HD11 ' A' ' 63' ' ' ILE . 15.7 mtt180 -145.99 159.93 42.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 20.1 m80 -64.16 160.9 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.642 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.74 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.1 pt-20 -116.89 -27.25 6.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 76.8 m -80.45 -7.91 59.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 17.2 t80 -70.92 1.39 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 40' ' ' GLU . 29.4 m -72.11 168.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.05 155.65 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.557 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 60.1 m -88.99 -34.77 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -66.8 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -94.26 -62.44 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.79 54.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -107.59 157.26 18.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.186 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.94 111.0 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.576 HD22 ' HA ' ' A' ' 65' ' ' CYS . 42.9 mt -91.33 11.91 22.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.94 -55.21 35.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -93.8 -57.0 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -43.22 -44.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.47 155.0 17.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.471 ' CE1' HD22 ' A' ' 32' ' ' LEU . 7.6 p-80 -119.27 159.5 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -128.31 166.25 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.43 112.12 23.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -140.61 119.91 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 54.33 39.64 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t0 64.14 32.07 12.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' OE1' HG21 ' A' ' 45' ' ' THR . 35.6 mt-30 -132.34 174.24 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.48 HD11 ' NH1' ' A' ' 37' ' ' ARG . 12.1 pt -123.6 137.21 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 62.0 m-85 -145.49 172.68 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.576 ' HA ' HD22 ' A' ' 51' ' ' LEU . 24.8 p -85.17 144.81 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.3 tt0 -37.4 -42.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.67 -66.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' ALA . 17.5 m170 -59.59 -54.91 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -34.2 -59.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -49.9 -49.77 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -54.97 -41.23 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' VAL . 54.0 mtt85 -68.2 -52.07 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 69' ' ' ALA . 98.4 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.432 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.118 0 CA-C-O 120.755 0.231 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' HG3' ' A' ' 17' ' ' MET . 9.8 ptp -55.94 137.1 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 10.1 t -60.61 145.03 50.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -82.39 -40.19 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 9.8 tptm -52.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.02 -65.23 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 122.65 53.7 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.0 p -139.38 143.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.39 123.51 15.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.557 HG21 ' HB3' ' A' ' 29' ' ' PHE . 86.6 mt -79.79 143.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.2 t -138.7 117.55 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 -137.63 13.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.31 144.11 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.557 ' HB3' HG21 ' A' ' 25' ' ' ILE . 17.4 p90 -166.67 170.88 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' A' ' 42' ' ' TYR . 95.1 t -103.72 103.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -74.77 125.45 28.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 ' HE1' ' A' ' 58' ' ' PHE . 10.8 mp -105.0 165.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' LEU . 15.1 ttt85 -32.01 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.01 -2.42 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 32.6 mmt180 -118.95 178.96 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.536 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 7.9 m80 -148.35 138.18 22.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.482 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 31.6 mtt180 -136.08 157.06 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.8 m80 -63.05 163.07 18.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 54.0 Cg_endo -69.77 -20.24 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -101.71 -30.13 11.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 56.5 m -82.84 0.51 43.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 29.5 t80 -76.02 13.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 50' ' ' ASN . 34.0 m -85.83 157.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.31 153.75 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.509 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 91.5 m -88.87 -34.28 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 32.8 t0 -68.54 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.7 -64.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.93 43.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -98.2 149.09 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.544 ' HA ' HG12 ' A' ' 43' ' ' VAL . 9.4 m120 -66.83 108.06 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.4 mt -83.85 11.55 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -42.81 -56.23 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 54' ' ' LYS . 31.6 mt-30 -94.66 -61.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.2 mttm -36.12 -47.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.5 160.07 17.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 36.2 p-80 -116.08 142.25 47.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 20.9 m-85 -111.27 141.32 44.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.693 ' HE1' HD23 ' A' ' 32' ' ' LEU . 31.2 m-85 -90.24 111.92 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.4 t -141.87 109.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 62.52 41.17 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 63.43 31.98 14.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -134.03 176.79 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.482 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 5.1 pt -127.61 134.97 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CE2' ' HB ' ' A' ' 45' ' ' THR . 38.2 m-85 -144.33 174.63 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 68' ' ' HIS . 27.0 p -92.22 137.31 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 27.2 tt0 -33.17 -40.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -57.67 -49.68 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' CYS . 9.5 m170 -83.97 -52.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.76 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.1 ptm180 -52.77 -40.49 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.8 mt-10 -64.13 -39.21 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -65.69 -56.07 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.759 0.233 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.4 mtt -59.26 128.46 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.14 160.59 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.21 -54.76 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -50.51 -62.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -87.63 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 50.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -130.01 131.36 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.148 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.27 107.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.605 HG21 ' CB ' ' A' ' 29' ' ' PHE . 41.3 mt -65.35 147.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 26' ' ' VAL . 12.9 p -141.5 127.19 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.94 -134.55 13.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.55 139.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CB ' HG21 ' A' ' 25' ' ' ILE . 10.0 p90 -167.01 159.17 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.5 t -90.12 102.78 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.594 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -76.18 107.52 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.561 HD11 ' NH2' ' A' ' 37' ' ' ARG . 29.4 mt -81.92 165.7 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' LEU . 27.0 ttt180 -32.02 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -118.02 10.77 13.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.3 mmt180 -129.16 174.36 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.594 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.0 m80 -134.32 151.37 51.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 1.016 ' NH2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -155.13 171.09 20.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 29.4 m80 -86.09 162.44 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.5 Cg_endo -69.77 -10.02 27.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -116.16 -24.5 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.457 ' C ' ' H ' ' A' ' 43' ' ' VAL . 74.9 m -84.04 1.46 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 7.8 t80 -74.12 17.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.457 ' H ' ' C ' ' A' ' 41' ' ' CYS . 35.8 m -82.87 158.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' HB2' HD21 ' A' ' 51' ' ' LEU . 46.1 t -52.44 162.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.1 m -94.74 -36.47 11.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.477 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 23.3 t0 -67.15 -67.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.59 -56.45 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.98 49.04 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.7 t -108.86 152.14 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.347 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.67 121.05 11.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 23.0 mt -98.47 17.1 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -54.26 -58.54 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.82 -56.54 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -51.53 -52.12 49.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.22 161.5 24.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.625 ' CD2' HG22 ' A' ' 63' ' ' ILE . 3.2 p-80 -116.23 154.9 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.58 162.42 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -105.09 110.74 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.4 t -141.19 118.44 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 55.41 42.59 29.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.3 t0 60.78 31.99 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -132.37 173.98 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.016 HD13 ' NH2' ' A' ' 37' ' ' ARG . 4.7 pt -122.99 139.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -151.27 162.06 41.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 15.8 p -79.18 143.84 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' CYS . 40.5 tt0 -36.21 -44.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -54.49 -57.56 10.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 12.5 m170 -67.96 -54.62 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -37.39 -62.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -44.69 -46.11 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.74 -36.34 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -66.93 -52.42 43.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.596 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.103 0 CA-C-O 120.804 0.252 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 ptp -54.14 139.11 36.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.517 ' HA ' HD11 ' A' ' 25' ' ' ILE . 12.6 t -52.07 161.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -102.24 -35.35 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 29.4 tttm -68.72 -49.72 56.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HG ' ' H ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -96.75 -51.1 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.11 63.02 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLY . 6.1 p -149.17 135.52 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -36.67 111.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 16' ' ' PRO . 92.2 mt -69.54 106.5 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.8 p -108.06 114.87 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.29 -139.3 14.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' HB ' ' HG3' ' A' ' 39' ' ' PRO . 15.8 t -55.56 147.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 25' ' ' ILE . 20.4 p90 -168.74 151.75 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -102.26 102.04 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -64.42 102.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' ARG . 32.5 mt -83.74 166.99 17.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.5 ttt180 -32.01 -76.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -117.97 8.68 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.8 mmm180 -129.59 176.98 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.529 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 12.2 m80 -146.39 120.59 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 20' ' ' LYS . 16.5 mtt180 -122.87 165.12 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 20.7 m80 -69.72 159.32 84.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.46 ' HG3' ' HB ' ' A' ' 28' ' ' VAL . 54.4 Cg_endo -69.7 -5.37 16.02 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.9 -25.73 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.7 m -85.74 -0.68 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 15.1 t80 -75.11 8.77 2.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 50' ' ' ASN . 34.6 m -74.98 156.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.419 ' HB2' HD21 ' A' ' 51' ' ' LEU . 44.7 t -52.1 161.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.505 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 92.4 m -92.65 -37.01 12.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 13.8 t0 -67.13 -68.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 p -87.33 -58.74 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.03 54.77 0.48 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.62 149.45 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' HA ' HG12 ' A' ' 43' ' ' VAL . 5.6 m120 -59.8 111.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 44' ' ' CYS . 38.0 mt -88.28 10.76 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -50.83 -57.02 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -92.29 -50.34 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -50.73 -49.11 58.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.39 165.0 19.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -132.37 159.28 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 31.0 m-85 -123.92 167.43 14.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -109.12 110.93 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.0 t -140.8 116.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 57.6 41.12 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.17 32.0 17.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.39 177.64 7.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.3 pt -125.8 141.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 55.7 m-85 -148.64 166.41 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.1 p -80.54 143.89 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.555 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 42.1 tt0 -35.48 -45.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -54.2 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 11.1 m80 -60.99 -55.06 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.64 -51.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 70' ' ' ARG . 37.3 mtm180 -56.45 -48.48 76.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' HIS . 34.8 mt-10 -57.09 -40.38 76.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.46 -49.06 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.239 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.03 128.28 23.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.84 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.08 -29.69 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 25.5 tptt -69.41 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 -67.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.96 53.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 p -138.24 138.97 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.69 110.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.556 HG21 ' CB ' ' A' ' 29' ' ' PHE . 96.6 mt -68.51 102.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.2 p -104.65 108.41 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.95 -158.77 14.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 p -55.06 138.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CB ' HG21 ' A' ' 25' ' ' ILE . 6.8 p90 -158.61 166.11 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.652 HG23 ' HA ' ' A' ' 39' ' ' PRO . 21.2 t -102.23 103.75 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.9 tmtm? -76.03 113.02 13.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 56' ' ' HIS . 91.6 mt -81.86 165.29 20.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' LEU . 43.3 mtt180 -32.0 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.99 5.01 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 28.5 mmm-85 -122.76 174.47 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.603 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 76.1 m80 -133.72 144.72 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 37' ' ' ARG . 10.6 mtt-85 -149.75 159.72 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 10.2 m80 -68.45 163.77 50.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.652 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.83 -13.56 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.6 pt-20 -113.38 -25.41 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 73.3 m -79.42 -5.77 55.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 17.3 t80 -73.73 9.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 40' ' ' GLU . 32.7 m -80.81 157.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.161 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.77 153.95 4.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 26.6 m -86.97 -33.91 19.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 3.7 t70 -67.76 -66.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.68 -62.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.88 54.0 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.3 t -107.66 148.63 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -58.6 109.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 65' ' ' CYS . 49.9 mt -88.11 14.81 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.48 -54.28 45.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.63 -49.4 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -48.63 -56.55 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.64 155.44 9.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.556 ' CE1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -114.31 153.9 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -122.47 166.19 15.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -113.37 110.72 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 72' ' ' ARG . 71.5 t -141.43 121.86 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 52.44 41.3 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 62.22 32.06 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -132.31 175.15 9.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.4 pt -122.71 138.9 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.575 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 52.4 m-85 -148.94 172.64 14.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' GLU . 22.5 p -88.88 144.15 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.6 tt0 -35.48 -43.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -54.34 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.8 m170 -67.81 -56.03 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.2 -59.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -48.07 -45.23 32.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.51 -34.4 77.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.575 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 13.7 mtp85 -69.21 -55.21 11.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.806 0.252 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.71 144.07 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.7 t -86.82 121.48 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.89 -33.17 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 6.3 tppt? -65.62 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -88.21 -65.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.53 41.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.8 p -128.06 131.23 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.72 111.65 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.434 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.765 HG21 ' HB3' ' A' ' 29' ' ' PHE . 11.5 mt -68.09 150.89 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.5 p -133.7 123.44 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.89 -144.11 23.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.55 136.78 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.765 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.6 p90 -167.81 163.04 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG12 HD22 ' A' ' 32' ' ' LEU . 55.5 t -84.29 101.99 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -83.03 103.8 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD22 HG12 ' A' ' 30' ' ' VAL . 1.8 mm? -82.36 162.55 22.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 41.6 mtt180 -33.3 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.99 11.98 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 18.9 mmt180 -128.77 174.48 9.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.499 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . 75.9 m80 -138.53 152.7 48.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.723 ' CZ ' HG21 ' A' ' 63' ' ' ILE . 16.0 mtm-85 -157.09 174.89 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.477 ' CD2' HG23 ' A' ' 25' ' ' ILE . 18.6 m80 -94.08 160.14 32.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.8 pt-20 -116.88 -32.93 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.504 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 55.2 m -76.26 -23.83 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -43.77 -21.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 40' ' ' GLU . 18.3 m -53.48 149.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.6 t -52.02 157.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 96.5 m -92.89 -33.48 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.3 m-20 -68.67 -61.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.37 -59.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.71 53.75 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.4 t -113.93 148.19 37.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.42 113.67 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 65' ' ' CYS . 34.1 mt -94.3 14.24 20.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -41.26 -59.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 54' ' ' LYS . 14.6 mm100 -97.42 -55.72 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.3 mttm -32.84 -66.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.79 166.24 11.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -133.13 170.67 15.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -140.36 155.23 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -97.7 113.72 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -140.71 118.34 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 54.09 40.51 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.38 31.95 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -133.93 177.66 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.723 HG21 ' CZ ' ' A' ' 37' ' ' ARG . 7.1 pt -126.09 139.91 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 78.9 m-85 -147.71 168.29 22.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.563 ' HB3' HD21 ' A' ' 51' ' ' LEU . 25.1 p -81.26 139.57 35.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' CYS . 24.9 tt0 -35.15 -41.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' ALA . 4.3 m80 -64.67 -55.39 20.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.44 -61.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -45.68 -50.1 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.8 -40.38 75.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.785 0.244 . . . . 0.0 112.376 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.7 ptm -59.99 126.84 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.5 t -52.17 144.02 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -83.67 -35.19 24.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 30.7 tptt -60.61 -67.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HG ' ' H ' ' A' ' 21' ' ' CYS . 1.4 p -79.63 -62.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -136.18 146.3 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 116.0 5.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.666 HG21 ' HB3' ' A' ' 29' ' ' PHE . 89.8 mt -72.14 135.98 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.6 p -130.63 118.42 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -135.42 12.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.37 144.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' A' ' 25' ' ' ILE . 22.1 p90 -168.21 161.7 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 39' ' ' PRO . 90.2 t -96.2 102.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.597 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.62 109.01 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' ARG . 86.5 mt -81.55 164.06 22.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 32' ' ' LEU . 2.1 mpt_? -32.02 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 18.1 t70 -117.98 10.57 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 31.6 mmt180 -129.34 174.49 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.597 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 58.7 m80 -139.41 137.19 35.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -143.96 169.67 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 15.1 m80 -77.96 163.33 63.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.6 Cg_endo -69.72 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 pt-20 -115.31 -29.61 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.4 m -79.67 -5.79 55.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 20.4 t80 -74.43 8.73 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 50' ' ' ASN . 35.4 m -78.73 167.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -59.27 150.37 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.419 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 94.9 m -84.04 -32.85 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 9.9 t70 -69.21 -66.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.56 -64.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.59 54.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -108.55 150.14 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.433 ' HA ' HG12 ' A' ' 43' ' ' VAL . 2.6 t-20 -57.4 114.58 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 34.0 mt -98.64 13.19 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.4 -59.23 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -93.35 -47.47 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -44.25 -62.79 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.43 154.03 8.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.402 ' CE1' HD22 ' A' ' 32' ' ' LEU . 3.9 p-80 -122.33 153.75 38.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -126.98 170.5 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -112.38 116.41 30.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 72' ' ' ARG . 61.4 t -144.31 114.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 58.09 40.31 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 64.15 32.07 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -133.36 176.61 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.8 pt -124.98 135.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 69.1 m-85 -142.31 176.18 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 2.9 p -95.15 141.28 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 65' ' ' CYS . 41.1 tt0 -32.71 -39.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 tmtp? -55.58 -58.66 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' ND1' ' HB3' ' A' ' 46' ' ' ASP . 12.3 m170 -73.83 -48.96 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.66 -61.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 70' ' ' ARG . 6.8 ptt180 -50.54 -25.74 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.37 -22.14 25.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.613 ' HB3' HG11 ' A' ' 59' ' ' VAL . 17.3 mtp85 -87.85 -34.64 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.8 0.25 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mtt -61.46 132.53 53.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.11 147.19 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.5 ' HB3' ' CG ' ' A' ' 37' ' ' ARG . 36.0 t0 -84.73 -32.21 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 18.0 tptp -69.83 -69.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.73 -65.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.6 48.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.9 p -130.06 134.46 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.163 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.88 108.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.809 HG21 ' HB3' ' A' ' 29' ' ' PHE . 57.3 mt -66.8 144.78 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -137.71 118.61 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.67 -128.99 9.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.425 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.587 HG13 ' HG3' ' A' ' 39' ' ' PRO . 4.4 p -73.45 141.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.809 ' HB3' HG21 ' A' ' 25' ' ' ILE . 31.2 p90 -164.93 157.77 16.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 39' ' ' PRO . 42.4 t -91.95 102.07 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 2.9 tmtp? -75.3 102.05 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 22.8 mt -96.11 169.96 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.619 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.9 mmt-85 -51.97 124.97 14.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.8 m-20 32.66 28.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 33' ' ' ARG . 24.9 mmt180 -137.88 173.25 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -149.97 129.84 13.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 8.6 mtt85 -143.65 165.47 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.8 m80 -80.01 161.69 64.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.587 ' HG3' HG13 ' A' ' 28' ' ' VAL . 53.7 Cg_endo -69.74 -9.69 26.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.91 -24.42 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 71.9 m -82.02 -3.85 55.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 12.6 t80 -73.43 5.5 3.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -73.22 159.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.34 153.38 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 ' NE2' ' A' ' 62' ' ' GLN . 85.5 m -87.68 -34.59 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 20.2 t0 -67.21 -66.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.3 -62.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.84 54.81 0.25 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -111.09 148.86 31.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -57.08 116.4 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 65' ' ' CYS . 42.0 mt -97.5 11.81 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -56.49 -58.95 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -85.59 -59.6 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -46.45 -45.39 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.17 168.71 20.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.26 159.89 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -129.17 154.97 46.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.33 112.36 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.52 112.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 60.39 42.42 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.21 32.04 19.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' NE2' HG21 ' A' ' 45' ' ' THR . 16.3 mt-30 -134.04 178.03 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.91 137.71 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 58.7 m-85 -143.39 174.47 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' GLU . 20.8 p -88.94 145.29 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' CYS . 34.7 tt0 -36.21 -42.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -57.41 -58.69 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 4.7 m170 -65.73 -60.4 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -37.88 -39.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -67.01 -44.98 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' HIS . 5.8 pt-20 -70.48 -29.49 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.559 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 14.2 mtp85 -65.39 -50.53 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.579 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.794 0.247 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -53.49 128.74 29.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HG ' ' HG ' ' A' ' 21' ' ' CYS . 44.0 t -52.14 158.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' CB ' HH21 ' A' ' 35' ' ' ARG . 39.7 t0 -98.91 -42.75 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -60.58 -60.7 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' HG ' ' HG ' ' A' ' 18' ' ' CYS . 1.9 p -90.0 -58.06 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.25 58.05 0.5 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -137.52 142.86 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.85 110.52 0.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.585 HG21 ' CB ' ' A' ' 29' ' ' PHE . 95.9 mt -67.36 142.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.35 129.5 46.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.23 -136.53 17.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.96 143.83 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CB ' HG21 ' A' ' 25' ' ' ILE . 21.8 p90 -168.03 165.86 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' A' ' 39' ' ' PRO . 86.2 t -95.9 107.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -84.04 123.1 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' CE1' ' A' ' 56' ' ' HIS . 78.3 mt -98.88 165.87 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.04 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -118.08 -2.74 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.9 mmm180 -113.83 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.585 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 62.1 m80 -143.05 147.23 34.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -148.57 175.5 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 11.7 m80 -84.9 163.11 47.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.528 ' HA ' HG23 ' A' ' 30' ' ' VAL . 54.0 Cg_endo -69.75 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.473 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.2 pt-20 -115.01 -28.6 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.2 m -76.75 -28.58 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -44.18 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 40' ' ' GLU . 27.8 m -52.09 161.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 45' ' ' THR . 41.4 t -55.08 162.59 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.403 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 95.3 m -90.2 -38.65 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 9.8 t0 -65.9 -65.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.19 -61.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.436 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 113.98 50.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -103.34 149.55 24.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.44 117.47 4.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 65' ' ' CYS . 19.2 mt -103.15 15.01 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -42.44 -55.87 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' LYS . 76.4 mt-30 -98.02 -58.44 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' GLN . 51.5 mttm -33.54 -48.71 0.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.68 168.66 19.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.542 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.622 ' CD2' HG22 ' A' ' 63' ' ' ILE . 3.3 p-80 -133.19 156.21 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 40.8 m-85 -118.97 166.74 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -113.69 111.56 22.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 1.016 HG13 ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -154.04 126.48 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 59.38 40.28 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 t70 54.97 31.98 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -135.5 178.0 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.622 HG22 ' CD2' ' A' ' 56' ' ' HIS . 5.2 pt -128.9 130.96 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 1.016 ' CE2' HG13 ' A' ' 59' ' ' VAL . 7.3 m-85 -133.12 176.58 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.635 ' HB3' HD21 ' A' ' 51' ' ' LEU . 15.7 p -89.98 141.12 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.558 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 51.7 tt0 -32.05 -36.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 13.2 ttmm -63.76 -58.59 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 29.7 m170 -69.45 -43.94 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.53 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 21.3 ptt180 -49.93 -37.03 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 34.1 mt-10 -67.6 -39.1 84.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -76.16 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HG2' ' HB ' ' A' ' 25' ' ' ILE . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.727 0.22 . . . . 0.0 112.361 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 22' ' ' GLY . 5.2 mtt -52.04 125.75 16.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 2.9 t -60.72 153.66 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.01 -47.75 60.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -56.18 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -68.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 17' ' ' MET . . . 102.12 44.4 1.89 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -97.99 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 111.121 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.52 97.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 29' ' ' PHE . 60.4 mt -55.81 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.04 130.38 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -147.34 45.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 p -52.0 149.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.56 ' HB3' HG23 ' A' ' 25' ' ' ILE . 16.6 p90 -165.54 175.81 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 39' ' ' PRO . 25.0 t -118.03 102.03 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.612 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.6 tmtt? -76.46 115.14 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 56' ' ' HIS . 79.1 mt -80.99 166.43 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -31.96 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.499 ' O ' ' NE ' ' A' ' 35' ' ' ARG . 75.9 m-20 -117.92 9.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 34' ' ' ASP . 16.1 mmp_? -128.38 173.73 9.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.612 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 60.6 m80 -131.97 146.23 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' NH2' HG12 ' A' ' 63' ' ' ILE . 11.2 mtt180 -153.06 147.4 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 22.2 m170 -56.86 161.07 5.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.628 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.78 -7.41 21.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -117.64 -23.93 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.0 m -82.18 -8.28 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -70.94 5.39 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -78.63 159.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -54.58 152.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.452 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 90.4 m -85.83 -32.39 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.6 t0 -69.15 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -94.77 -64.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.74 54.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -104.89 148.75 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.74 107.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 65' ' ' CYS . 45.4 mt -90.52 11.88 20.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -46.95 -55.96 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.86 -56.21 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -39.84 -48.52 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 163.42 19.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.6 ' CE1' HD22 ' A' ' 32' ' ' LEU . 6.1 p-80 -126.89 164.31 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -126.95 167.2 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -113.25 110.49 20.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.429 ' CG1' ' HE ' ' A' ' 72' ' ' ARG . 60.3 t -141.13 118.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t70 62.79 32.04 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -132.93 174.34 10.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.428 HG12 ' NH2' ' A' ' 37' ' ' ARG . 11.9 pt -123.51 140.33 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.452 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 58.9 m-85 -148.37 175.23 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.527 ' HB3' HD21 ' A' ' 51' ' ' LEU . 26.7 p -94.89 141.07 29.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' CYS . 43.2 tt0 -33.52 -40.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -57.74 -49.59 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 9.4 m170 -81.88 -52.76 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -43.94 -54.94 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -51.54 -34.63 37.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -72.53 -31.71 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.429 ' HE ' ' CG1' ' A' ' 59' ' ' VAL . 29.9 mtp85 -73.54 -48.88 29.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 69' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.786 0.244 . . . . 0.0 112.372 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.96 115.32 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 33.9 t -52.05 161.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.425 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 1.1 t0 -97.97 -45.26 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.01 -58.53 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -95.53 -63.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 23' ' ' THR . . . 114.38 69.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 22' ' ' GLY . 38.0 p -157.53 132.37 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.1 122.34 3.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.797 HG21 ' HB3' ' A' ' 29' ' ' PHE . 14.8 mt -80.53 161.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.8 p -131.75 123.88 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.38 -139.91 26.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.35 132.54 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.797 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.1 p90 -165.33 157.57 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.6 HG11 ' HB2' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -80.05 131.68 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -112.74 102.84 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' ARG . 58.5 mt -81.03 166.85 20.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -31.96 -73.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.98 9.06 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.3 mmt85 -130.08 173.82 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.589 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 36.0 m80 -137.46 153.38 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.871 ' NH1' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -147.59 165.04 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.499 ' NE2' HG12 ' A' ' 25' ' ' ILE . 26.9 m80 -79.41 158.21 74.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.1 27.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.323 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -112.97 -22.47 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.45 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 87.5 m -83.12 -29.83 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.6 ' HB2' HG11 ' A' ' 30' ' ' VAL . 22.6 t80 -43.46 -22.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.8 m -52.33 155.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.06 138.99 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.441 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 17.1 m -75.41 -26.95 58.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.603 ' OD1' ' CE1' ' A' ' 68' ' ' HIS . 11.1 t70 -71.57 -66.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.03 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.4 49.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -108.53 137.87 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -57.53 116.27 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 16.5 mt -93.19 9.41 36.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -45.11 -49.9 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -97.87 -54.72 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -45.23 -50.66 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.68 153.76 11.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 56' ' ' HIS . 2.0 p-80 -114.02 145.72 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 14.4 m-85 -112.25 150.31 31.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -96.13 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.57 111.28 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 59.08 42.76 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 62.46 32.02 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -132.42 171.49 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.871 HD11 ' NH1' ' A' ' 37' ' ' ARG . 6.6 pt -121.57 138.16 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.441 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 80.9 m-85 -147.12 174.1 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.1 p -90.55 150.87 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -42.44 -42.49 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.13 -66.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.603 ' CE1' ' OD1' ' A' ' 46' ' ' ASP . 6.0 m80 -61.8 -56.81 15.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.58 -61.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -43.09 -47.62 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -60.9 -37.47 82.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -69.48 -56.55 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.412 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.6 Cg_endo . . . . . 0 C--O 1.23 0.103 0 CA-C-O 120.794 0.247 . . . . 0.0 112.366 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtt -52.45 135.27 33.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 48.9 t -54.78 149.74 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -28.07 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' CYS . 7.9 tmtm? -70.83 -65.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.5 p -91.93 -54.02 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.56 72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.3 p -154.0 132.86 12.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.26 131.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.58 HG21 ' CB ' ' A' ' 29' ' ' PHE . 97.2 mt -94.99 148.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.7 p -143.85 138.97 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 64.58 -143.54 47.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.46 133.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CB ' HG21 ' A' ' 25' ' ' ILE . 3.2 p90 -166.04 159.36 15.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.603 HG22 ' H ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -78.9 128.25 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.542 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -111.44 104.9 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 37' ' ' ARG . 28.0 mt -85.47 167.39 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' LEU . 63.4 mtt85 -31.96 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -117.89 4.85 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.7 mmt85 -123.71 171.58 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 9.0 m80 -140.79 148.55 40.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.738 ' CZ ' HD13 ' A' ' 63' ' ' ILE . 4.5 mtm-85 -145.43 170.17 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 19.5 m80 -82.58 159.81 63.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.59 34.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.718 2.278 . . . . 0.0 112.316 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -112.28 -17.84 12.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 85.1 m -92.41 3.03 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.427 ' HB2' HG11 ' A' ' 30' ' ' VAL . 19.1 t80 -78.07 17.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.429 ' HB ' ' C ' ' A' ' 48' ' ' GLY . 31.5 m -81.64 154.31 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.469 ' HB2' HD21 ' A' ' 51' ' ' LEU . 36.0 t -55.88 127.45 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -61.41 -29.83 70.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.43 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 10.5 t0 -69.76 -67.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.81 -63.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.429 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 124.16 52.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -112.56 140.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -54.59 109.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 65' ' ' CYS . 31.4 mt -90.04 10.93 22.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -43.87 -58.28 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.35 -42.85 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -52.86 -44.62 66.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.82 149.88 25.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.561 ' CE1' HD22 ' A' ' 32' ' ' LEU . 13.5 p-80 -111.28 164.34 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 8.3 m-85 -127.05 168.62 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -111.98 113.05 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.596 HG11 ' HB3' ' A' ' 72' ' ' ARG . 57.9 t -140.73 119.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 52.22 44.38 29.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 61.0 32.05 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -133.43 177.18 7.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.738 HD13 ' CZ ' ' A' ' 37' ' ' ARG . 6.6 pt -124.97 147.28 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -156.13 172.06 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.625 ' HB3' HD21 ' A' ' 51' ' ' LEU . 27.5 p -86.7 138.35 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.8 tt0 -32.69 -45.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -65.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' ALA . 8.1 m170 -63.47 -54.74 31.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' ARG . . . -33.87 -64.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 53.7 mtp180 -39.35 -46.65 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.38 -36.39 80.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.596 ' HB3' HG11 ' A' ' 59' ' ' VAL . 26.3 mtt85 -78.04 -58.25 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 69' ' ' ALA . 7.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.594 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.785 0.244 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mtt -64.59 115.63 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.432 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 9.0 t -57.3 143.75 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 16.6 t0 -79.73 -36.5 37.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 8.1 tptp -59.28 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.6 -69.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.65 56.31 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 p -141.27 131.38 24.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.03 123.54 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.738 HG21 ' HB3' ' A' ' 29' ' ' PHE . 6.4 mt -84.0 154.98 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -122.74 120.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -134.58 16.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.77 134.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.738 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.1 p90 -168.04 153.13 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -76.03 135.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -116.77 102.39 9.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' ARG . 88.6 mt -81.6 167.48 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -31.96 -73.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.97 7.24 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.4 mmt180 -127.24 174.52 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 23.2 m80 -139.48 152.17 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.636 ' H ' HG22 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -145.98 166.02 27.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.596 ' CD2' HG12 ' A' ' 25' ' ' ILE . 25.1 m80 -78.6 156.55 77.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -5.99 17.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.72 -25.12 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 75.7 m -81.44 -26.8 35.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB2' HG11 ' A' ' 30' ' ' VAL . 29.3 t80 -45.34 -21.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -54.3 154.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.492 ' HB2' HD21 ' A' ' 51' ' ' LEU . 51.4 t -51.94 145.9 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.6 m -82.31 -28.88 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 20.1 t0 -73.04 -64.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.41 ' HG ' ' H ' ' A' ' 47' ' ' CYS . 1.1 p -92.65 -66.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.11 44.94 0.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.53 139.2 41.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -55.53 114.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 44' ' ' CYS . 32.6 mt -87.23 14.27 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -50.88 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -90.42 -43.39 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.02 -42.86 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.68 145.27 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.496 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 1.4 p-80 -108.15 161.66 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 11.3 m-85 -128.36 171.39 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -114.59 109.97 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 72' ' ' ARG . 96.8 t -141.19 113.45 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 58.63 41.67 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t0 62.75 32.01 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.46 176.52 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.465 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 7.0 pt -126.85 134.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -142.87 171.33 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.3 p -85.48 144.85 27.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -37.68 -43.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -55.33 -64.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.5 m170 -63.98 -55.92 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.35 -65.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -39.95 -50.29 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -55.21 -40.3 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 73' ' ' VAL . 55.4 mtt85 -71.68 -50.59 29.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 72' ' ' ARG . 86.4 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -94.37 -49.6 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 p 52.16 39.5 26.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.98 -116.38 3.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t 62.97 41.96 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -97.11 153.91 17.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.69 108.11 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 p -76.67 129.17 35.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 pt -153.66 140.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.47 -125.81 0.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -55.16 157.32 3.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.25 142.81 22.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -53.56 133.77 41.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -58.46 133.9 56.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -126.68 140.3 37.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.593 0.711 . . . . 0.0 110.946 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.633 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.76 91.7 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.269 . . . . 0.0 112.357 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 ptm -59.44 130.54 47.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 42.1 t -54.48 158.7 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -98.15 -41.92 7.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -54.32 -59.31 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.24 -56.92 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.12 56.54 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.9 p -141.29 142.16 33.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.348 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.55 119.74 6.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 16' ' ' PRO . 74.3 mt -80.2 153.58 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.415 ' N ' HG22 ' A' ' 25' ' ' ILE . 4.9 p -147.72 130.55 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.29 -137.57 16.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.7 p -67.4 139.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.512 ' HB3' HG21 ' A' ' 25' ' ' ILE . 17.4 p90 -164.97 170.74 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 39' ' ' PRO . 32.5 t -108.17 102.61 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.28 123.8 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD22 ' CE1' ' A' ' 56' ' ' HIS . 57.6 mt -92.56 166.35 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 9.1 ttt180 -31.97 -72.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.02 -1.99 11.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 26.8 mmm180 -117.05 175.49 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.601 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 44.9 m80 -137.14 147.43 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' NH1' HD13 ' A' ' 63' ' ' ILE . 20.8 mtt85 -147.09 167.42 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 25' ' ' ILE . 15.4 m80 -78.52 161.88 68.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.732 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.7 Cg_endo -69.77 -10.59 28.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' HG13 ' A' ' 43' ' ' VAL . 4.9 pt-20 -112.16 -26.25 8.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 43' ' ' VAL . 71.0 m -78.68 -28.63 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.62 ' O ' HD12 ' A' ' 51' ' ' LEU . 15.7 t80 -43.55 -22.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 40' ' ' GLU . 14.1 m -54.56 159.08 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.47 154.81 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -88.03 -33.99 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.18 -65.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -93.83 -63.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.25 51.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.7 t -100.77 146.31 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.102 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -61.91 104.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 42' ' ' TYR . 27.8 mt -84.38 12.88 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -50.16 -56.95 8.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -93.66 -48.36 6.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -50.73 -51.89 45.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.05 165.4 19.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.491 ' CE1' HD22 ' A' ' 32' ' ' LEU . 1.5 p-80 -120.14 152.72 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 8.9 m-85 -115.95 164.94 13.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -110.47 110.36 21.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.475 HG11 ' HB3' ' A' ' 72' ' ' ARG . 96.8 t -141.26 114.62 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 58.26 41.56 23.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 62.07 32.02 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -132.97 176.59 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.406 HD13 ' NH1' ' A' ' 37' ' ' ARG . 20.2 pt -126.63 135.94 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.41 170.38 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' HIS . 25.1 p -85.47 138.53 32.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.8 tt0 -33.41 -36.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' CYS . 39.4 tttp -61.73 -49.78 75.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.5 m80 -81.99 -49.74 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 73' ' ' VAL . . . -44.57 -57.36 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 2.2 ptm85 -48.78 -42.63 36.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 6.9 mm-40 -63.43 -37.22 86.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HB3' HG11 ' A' ' 59' ' ' VAL . 77.1 mtt-85 -74.46 -58.05 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 69' ' ' ALA . 6.8 p -56.58 -26.82 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.4 t -120.44 112.01 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.17 -146.69 17.86 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -179.32 2.82 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 t -138.71 110.1 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.9 p -83.94 115.14 22.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.467 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -148.34 151.89 36.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -129.79 171.17 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.92 139.58 9.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -118.4 177.56 4.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -161.42 157.92 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.99 109.04 1.32 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -104.78 157.22 17.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.854 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -113.85 125.65 71.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.442 ' N ' HD13 ' A' ' 9' ' ' ILE . . . -122.15 -66.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -53.37 148.87 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.14 147.28 35.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -82.38 142.87 31.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -110.39 17.93 20.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 25' ' ' ILE . 47.0 mt -112.32 143.09 28.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.422 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.79 101.09 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -61.24 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -52.01 156.89 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.98 -39.06 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -65.2 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -82.23 -53.92 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.65 65.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.5 p -144.62 145.99 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.15 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.56 112.84 2.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.49 HG12 ' CE1' ' A' ' 38' ' ' HIS . 62.3 mt -74.4 153.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.368 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.5 p -151.1 126.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.55 -135.9 14.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.51 140.44 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.433 ' HB3' HG21 ' A' ' 25' ' ' ILE . 6.9 p90 -167.63 161.92 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.3 t -92.37 102.04 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -77.05 104.99 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD11 HH11 ' A' ' 37' ' ' ARG . 78.8 mt -82.69 165.02 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 32' ' ' LEU . 61.2 mtt180 -32.1 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -118.01 12.33 13.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -128.8 174.79 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.545 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.6 m80 -140.84 143.83 35.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.497 HH11 HD11 ' A' ' 32' ' ' LEU . 10.8 mtt85 -149.76 166.86 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.49 ' CE1' HG12 ' A' ' 25' ' ' ILE . 26.8 m80 -79.05 162.04 66.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.4 Cg_endo -69.85 -9.8 26.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.335 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.43 -28.03 6.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 43' ' ' VAL . 67.5 m -79.72 -2.24 42.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.512 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 12.6 t80 -69.85 6.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.779 HG12 ' HA ' ' A' ' 50' ' ' ASN . 29.4 m -72.65 160.84 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.583 ' HA ' HD11 ' A' ' 51' ' ' LEU . 50.5 t -53.82 162.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.7 m -97.57 -35.29 10.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 16.7 t0 -66.58 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -95.6 -56.95 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.09 51.31 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.4 145.31 31.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.779 ' HA ' HG12 ' A' ' 43' ' ' VAL . 10.9 t-20 -55.22 107.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 44' ' ' CYS . 28.1 mt -90.58 14.38 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -50.35 -49.77 53.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' LYS . 37.0 mt-30 -97.54 -60.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLN . 28.3 mtpt -35.74 -66.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.88 168.08 12.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 4.0 p-80 -130.48 154.01 48.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 7.4 m-85 -124.53 166.07 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -109.5 110.83 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.4 t -140.04 115.82 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 58.26 41.89 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 61.49 32.47 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -132.98 177.07 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.89 139.57 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -149.3 170.11 19.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.575 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.2 p -83.57 146.84 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -38.33 -48.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -60.97 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 71' ' ' GLU . 15.9 m170 -63.54 -62.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . . . -33.31 -45.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -61.66 -46.55 89.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 68' ' ' HIS . 4.0 pt-20 -71.46 -29.21 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -69.21 -47.09 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 74' ' ' SER . 8.3 p -71.2 -41.62 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 73' ' ' VAL . 22.3 t -75.55 149.79 38.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.71 171.03 44.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 2.78 3.22 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.3 p -82.09 159.31 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.7 m -70.11 166.64 19.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.482 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -85.99 -50.85 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -166.3 167.64 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.85 165.87 18.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -139.18 148.74 43.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -142.87 155.52 44.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.47 -178.98 32.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.556 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -111.26 163.72 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.823 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.4 mt -137.43 112.87 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.04 133.84 1.73 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -64.63 147.41 53.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.78 134.87 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -65.25 153.71 40.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.35 152.9 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -148.22 148.05 27.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 101.97 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 mtp -62.33 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.0 t -55.52 157.89 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -102.57 -33.77 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 5.5 tmtm? -67.46 -63.43 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.03 -51.52 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.52 70.44 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.0 p -155.17 133.55 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.49 123.76 4.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 29' ' ' PHE . 58.3 mt -85.15 151.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -147.78 126.28 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.72 -135.83 13.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.14 136.13 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.094 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CB ' HG21 ' A' ' 25' ' ' ILE . 20.0 p90 -163.11 160.62 24.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 39' ' ' PRO . 40.3 t -92.14 102.04 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.26 111.5 10.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' ARG . 92.9 mt -81.93 165.2 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 10.4 ttt180 -32.05 -72.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.0 8.74 12.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.7 mmm180 -129.0 174.81 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.6 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 46.2 m80 -136.82 139.93 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.933 ' NH1' HD11 ' A' ' 63' ' ' ILE . 24.4 mtt180 -140.5 164.11 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CE1' HG12 ' A' ' 25' ' ' ILE . 37.2 m80 -74.15 160.16 82.22 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.437 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.4 Cg_endo -69.74 -9.09 25.26 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.71 -22.31 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' VAL . 85.0 m -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 51' ' ' LEU . 15.8 t80 -45.26 -19.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' C ' ' A' ' 41' ' ' CYS . 19.4 m -52.05 159.63 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.5 t -53.31 161.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.423 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 41.9 m -94.04 -37.05 11.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 14.1 t0 -64.69 -65.51 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -93.19 -59.52 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.77 52.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.5 t -106.29 151.02 25.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.403 ' HA ' HG12 ' A' ' 43' ' ' VAL . 23.5 m120 -61.62 116.18 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 65' ' ' CYS . 37.7 mt -98.67 1.51 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -42.48 -52.71 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 54' ' ' LYS . 10.3 mm100 -92.81 -65.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' GLN . 40.4 mttp -36.07 -62.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.57 162.66 11.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -126.59 152.63 46.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -114.7 170.75 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -113.1 110.55 20.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -140.4 120.39 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 53.05 42.76 32.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.2 t0 61.25 31.97 19.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.96 177.64 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.933 HD11 ' NH1' ' A' ' 37' ' ' ARG . 9.9 pt -124.97 139.97 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 68.3 m-85 -150.06 162.27 40.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.7 p -77.64 142.09 39.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.0 tt0 -34.97 -44.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -55.67 -62.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ALA . 5.2 m170 -63.21 -54.43 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -35.22 -64.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -45.68 -43.85 12.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.13 -28.8 69.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' SER . 17.8 mtp85 -80.59 -55.99 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 69' ' ' ALA . 0.8 OUTLIER -39.96 -25.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ARG . 25.1 t -51.35 -47.48 62.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.45 144.08 5.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 145.01 55.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.6 m -50.34 -47.77 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t 61.97 41.92 10.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.465 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 t -141.21 157.46 45.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.81 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -150.68 150.74 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.66 -164.48 9.93 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -157.72 118.25 3.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -93.78 174.83 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.39 176.02 35.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -133.29 140.39 47.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.7 mt -105.99 133.4 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.15 -52.3 0.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -62.84 174.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.35 124.08 49.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 5.9 pm0 -65.58 129.19 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -108.66 17.96 21.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -144.99 141.62 17.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.494 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . 53.3 Cg_endo -69.77 95.02 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -60.5 130.29 45.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 41.8 t -52.02 156.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -96.86 -44.49 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -55.96 -64.39 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.0 p -83.34 -57.82 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.34 65.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 p -150.42 139.99 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.161 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.5 119.11 6.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' PHE . 78.5 mt -76.72 142.9 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.7 p -137.02 119.43 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.06 -130.72 10.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.03 142.24 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.727 ' HB3' HG21 ' A' ' 25' ' ' ILE . 32.3 p90 -168.39 168.04 11.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -106.84 104.96 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 6.8 tmtt? -76.99 112.43 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.606 HD11 HH11 ' A' ' 37' ' ' ARG . 89.7 mt -81.83 166.78 19.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.01 -72.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -117.99 -1.24 11.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 17.9 mmt-85 -117.77 175.79 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.603 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 43.9 m80 -139.65 139.91 36.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.606 HH11 HD11 ' A' ' 32' ' ' LEU . 25.6 mtt85 -141.4 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 21.0 m80 -82.33 163.15 53.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.2 Cg_endo -69.78 -11.3 30.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.327 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -111.96 -26.87 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -85.44 -3.21 58.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 13.6 t80 -74.86 8.77 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.8 161.58 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -52.32 152.49 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.692 HG21 ' NE2' ' A' ' 62' ' ' GLN . 91.3 m -86.92 -34.85 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -67.75 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -92.62 -63.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.08 52.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -104.27 160.91 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 0.0 111.105 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -69.42 121.88 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -107.4 10.01 29.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -46.55 -51.05 16.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -97.98 -56.53 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -43.88 -48.6 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 157.56 26.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.873 ' CD2' HG22 ' A' ' 63' ' ' ILE . 2.4 p-80 -114.28 159.09 20.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -119.02 161.18 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -103.14 114.41 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -142.86 115.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 55.95 42.36 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 61.73 31.96 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.692 ' NE2' HG21 ' A' ' 45' ' ' THR . 10.0 mt-30 -133.58 177.62 7.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.873 HG22 ' CD2' ' A' ' 56' ' ' HIS . 8.1 pt -127.15 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -149.49 173.63 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' HIS . 10.9 p -91.38 140.02 30.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 25.6 tt0 -33.97 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -56.36 -48.53 76.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 8.5 m170 -85.16 -49.35 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.677 ' O ' HG12 ' A' ' 73' ' ' VAL . . . -44.24 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 10.0 ptm180 -61.12 -35.76 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 38.2 mt-10 -75.19 -31.47 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -72.42 -57.64 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 69' ' ' ALA . 2.3 p -49.42 -34.69 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.2 m 49.69 40.78 20.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.94 -173.21 49.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.97 7.67 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.2 p -146.88 162.11 39.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -76.85 -43.97 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 70' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -143.9 144.93 31.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.851 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -167.61 159.62 12.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.83 130.79 3.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -160.26 152.21 20.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -157.04 162.7 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.31 171.79 44.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 t -122.76 129.54 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 110.821 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.4 tt -114.18 135.18 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.92 91.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -163.96 162.51 23.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.83 173.39 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -133.33 115.91 15.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -82.71 17.98 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.8 mt -139.36 141.6 29.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.679 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.2 Cg_endo -69.77 91.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ptp -56.51 139.03 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 49.1 t -62.27 134.29 56.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.96 -37.33 64.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 16.7 tptp -56.01 -65.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.01 -68.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.42 61.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -149.38 133.43 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -40.02 125.37 2.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 16' ' ' PRO . 85.1 mt -84.85 142.17 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 26' ' ' VAL . 11.1 p -131.3 122.74 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.07 -143.87 18.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 p -59.67 145.0 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.67 ' HB3' HG21 ' A' ' 25' ' ' ILE . 8.5 p90 -166.5 169.82 13.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG12 HD22 ' A' ' 32' ' ' LEU . 77.4 t -98.99 102.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -78.19 104.21 8.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.65 HD22 HG12 ' A' ' 30' ' ' VAL . 4.2 mm? -82.23 162.67 22.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.6 mtt85 -32.61 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -118.07 11.99 13.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -128.72 174.67 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.586 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 78.0 m80 -143.2 135.78 27.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 46.7 mtt180 -141.64 169.71 17.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 12.4 m80 -77.02 162.16 70.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.8 Cg_endo -69.79 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.35 -28.19 6.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.2 m -82.03 -0.93 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 19.8 t80 -74.56 8.7 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 50' ' ' ASN . 33.4 m -82.67 156.2 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.95 156.21 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.491 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 20.4 m -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' CG ' ' NE2' ' A' ' 68' ' ' HIS . 7.1 t70 -67.12 -66.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.52 -60.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.89 49.92 0.45 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -103.05 152.93 20.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.44 ' HA ' HG12 ' A' ' 43' ' ' VAL . 14.6 m120 -69.91 111.01 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 65' ' ' CYS . 21.9 mt -88.4 15.54 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -46.0 -52.71 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.71 -37.66 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -49.4 -47.83 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.51 151.56 9.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.458 ' CE1' ' CD1' ' A' ' 32' ' ' LEU . 7.8 p-80 -121.67 166.24 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.44 149.21 48.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -95.18 111.66 23.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.496 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 84.1 t -141.53 108.81 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 64.24 39.98 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.94 31.98 13.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -133.74 176.3 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 10.6 pt -122.05 140.43 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 59' ' ' VAL . 29.8 m-85 -145.92 176.1 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.565 ' HB3' HD21 ' A' ' 51' ' ' LEU . 15.9 p -98.34 141.46 31.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.2 tt0 -33.22 -45.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -51.3 -63.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.501 ' NE2' ' CG ' ' A' ' 46' ' ' ASP . 8.5 m80 -70.27 -55.41 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.53 -60.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.3 mtt-85 -47.9 -45.76 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.53 -38.79 88.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -68.44 -56.87 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 69' ' ' ALA . 7.2 p -61.75 -30.82 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 t -95.83 16.46 17.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.29 178.41 8.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 103.83 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.733 2.289 . . . . 0.0 112.337 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.0 t -76.18 -59.28 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 m -130.11 140.7 50.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.507 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -106.92 155.7 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -85.91 -54.13 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.26 96.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -154.93 143.37 20.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -72.58 134.7 45.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.24 -144.13 9.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -99.81 155.93 17.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.51 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -107.23 151.31 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.23 138.41 3.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -134.17 109.3 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.49 -56.16 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -69.28 125.02 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -65.68 154.44 38.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 mt -138.12 140.78 29.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 113.46 3.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -68.86 130.72 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 47.1 t -56.74 164.04 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.26 -43.25 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -66.08 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 p -75.92 -46.81 28.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 92.2 55.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.1 p -136.8 136.67 39.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.95 108.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' A' ' 29' ' ' PHE . 26.3 mt -67.37 137.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.8 p -130.96 117.29 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.73 -131.91 10.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.93 146.06 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.775 ' HB3' HG21 ' A' ' 25' ' ' ILE . 35.9 p90 -168.11 161.95 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -99.03 102.04 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.592 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -77.04 110.48 11.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 37' ' ' ARG . 52.4 mt -82.51 167.26 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.558 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 60.0 mtt180 -31.99 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -118.01 3.91 12.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.4 mmm180 -121.25 173.87 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.592 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 74.6 m80 -134.65 151.72 51.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 1.081 ' NH2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -156.34 169.79 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.3 m80 -85.08 163.92 43.65 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.555 0.693 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.9 Cg_endo -69.7 -6.46 18.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' HG13 ' A' ' 43' ' ' VAL . 18.3 mt-10 -118.03 -30.59 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 43' ' ' VAL . 62.5 m -77.11 -2.07 32.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 8.7 t80 -74.52 14.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 40' ' ' GLU . 33.5 m -78.37 154.3 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.457 ' HB2' HD21 ' A' ' 51' ' ' LEU . 43.4 t -52.1 161.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.9 m -90.52 -38.98 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 7.7 t70 -65.12 -67.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -90.17 -60.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.51 57.31 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.6 t -113.69 151.23 32.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -57.15 108.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 65' ' ' CYS . 28.1 mt -89.64 16.49 7.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 53' ' ' GLN . 4.6 tmmm? -58.9 -58.91 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.951 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' N ' ' HD2' ' A' ' 52' ' ' LYS . 52.4 mt-30 -79.52 -64.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -45.04 -59.02 2.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.41 171.14 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -128.76 156.4 43.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 12.3 m-85 -121.15 167.39 12.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 12.1 m-85 -112.83 110.84 21.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 63.1 t -140.31 120.08 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 55.98 43.81 26.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.1 t0 59.37 32.01 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -132.78 176.07 8.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.081 HD13 ' NH2' ' A' ' 37' ' ' ARG . 6.6 pt -124.16 140.04 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -148.98 161.41 41.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.521 ' HB3' HD21 ' A' ' 51' ' ' LEU . 9.0 p -75.77 141.84 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 23.2 tt0 -34.33 -45.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -57.37 -61.91 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 9.0 m170 -61.14 -55.84 27.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.29 -62.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -45.53 -50.88 12.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -52.93 -42.36 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -63.18 -57.35 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.9 t -43.07 -54.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 t -65.79 -61.18 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.54 153.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -178.15 2.19 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 t -115.09 149.73 37.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -64.12 172.98 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.51 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -152.61 118.18 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.879 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 t -165.64 156.63 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.69 145.94 4.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -146.72 136.22 22.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.4 m -122.71 140.48 52.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.18 172.48 12.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -90.11 123.81 34.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -112.01 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.74 77.9 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.502 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.71 148.58 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.53 117.04 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -106.37 116.63 32.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 3.6 mppt? -94.24 17.99 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -116.85 150.1 45.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.77 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 24' ' ' GLY . 1.8 mmt -59.52 141.02 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 t -72.78 135.34 45.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.9 -32.62 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 11.6 tptm -68.18 -63.47 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.99 -69.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.55 47.28 0.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.7 p -135.13 132.08 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 111.14 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' N ' ' SD ' ' A' ' 17' ' ' MET . . . -40.58 126.59 2.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.579 HG21 ' HB3' ' A' ' 29' ' ' PHE . 44.0 mt -87.54 154.64 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.4 p -144.18 130.93 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 79.08 -142.97 25.82 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.551 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.07 139.6 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.579 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.0 p90 -167.06 170.36 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.617 HG12 HD22 ' A' ' 32' ' ' LEU . 66.2 t -102.29 101.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.604 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -83.31 106.94 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.617 HD22 HG12 ' A' ' 30' ' ' VAL . 3.7 mm? -84.39 162.03 20.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 45.4 ttt-85 -32.26 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -118.05 12.49 13.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 35' ' ' ARG . 8.8 mmt180 -128.55 172.95 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.604 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.7 m80 -143.72 136.38 27.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 50.2 mtt180 -146.81 156.97 43.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.451 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.6 m80 -66.27 163.05 42.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.3 Cg_endo -69.8 -9.97 27.38 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.5 pt-20 -110.39 -31.4 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 61.2 m -75.9 -23.48 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' O ' HD12 ' A' ' 63' ' ' ILE . 13.5 t80 -43.51 -21.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 40' ' ' GLU . 17.3 m -52.49 157.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.03 151.61 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.446 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 88.5 m -88.25 -33.5 18.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 15.2 t0 -67.85 -62.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -95.94 -63.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.37 46.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.7 t -101.55 142.07 33.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.97 109.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 28.7 mt -88.69 16.23 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.44 -47.33 84.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -98.58 -41.63 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -62.91 -56.18 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.19 159.85 10.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.448 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 9.7 p-80 -124.39 160.97 26.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.36 151.83 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -95.73 110.17 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 72' ' ' ARG . 60.9 t -140.87 115.25 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 58.26 40.96 24.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 t70 62.66 32.03 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -133.41 173.6 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 42' ' ' TYR . 8.3 pt -120.66 140.64 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.446 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 60.6 m-85 -151.11 169.15 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.9 p -85.75 147.93 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -40.14 -43.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -55.6 -66.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.43 ' ND1' ' HB3' ' A' ' 46' ' ' ASP . 17.2 m170 -62.22 -56.55 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.34 -55.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -52.73 -45.64 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' HIS . 41.7 mt-10 -60.44 -35.52 76.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.531 ' HD3' HG11 ' A' ' 59' ' ' VAL . 5.8 mtp85 -63.32 -53.94 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.94 -36.67 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 75' ' ' GLY . 15.3 t -67.15 -50.18 62.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' SER . . . -35.61 123.2 0.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.24 20.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -112.65 172.6 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.814 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m -48.35 -51.82 24.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.437 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -147.78 175.31 11.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -153.56 146.96 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.95 -179.15 42.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -128.62 112.0 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.8 t -118.63 160.33 22.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 146.65 6.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.2 t -150.35 105.69 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -67.44 160.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.79 174.14 21.45 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -61.49 150.06 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.62 138.32 32.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -143.09 141.57 31.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 132.93 53.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.94 157.37 84.66 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.77 110.7 2.62 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.56 120.78 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 40.8 t -53.62 133.13 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.99 -37.81 84.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 15.8 tptp -58.68 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -69.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.28 50.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -135.89 139.5 43.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 111.16 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.73 113.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.617 HG21 ' CB ' ' A' ' 29' ' ' PHE . 85.4 mt -74.81 102.15 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 26' ' ' VAL . 3.6 p -99.59 117.61 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.73 -150.17 17.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -64.51 148.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.617 ' CB ' HG21 ' A' ' 25' ' ' ILE . 22.4 p90 -168.62 173.4 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.642 HG23 ' HA ' ' A' ' 39' ' ' PRO . 16.5 t -103.95 104.64 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.598 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -76.63 110.18 10.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' ARG . 90.6 mt -82.35 163.39 21.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.44 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.03 11.51 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -128.89 174.2 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.598 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 70.3 m80 -140.36 138.88 35.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' NH1' HD11 ' A' ' 63' ' ' ILE . 15.7 mtt180 -145.99 159.93 42.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 20.1 m80 -64.16 160.9 44.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.642 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.74 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.1 pt-20 -116.89 -27.25 6.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 76.8 m -80.45 -7.91 59.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 17.2 t80 -70.92 1.39 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 40' ' ' GLU . 29.4 m -72.11 168.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.05 155.65 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.557 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 60.1 m -88.99 -34.77 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -66.8 -65.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -94.26 -62.44 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.79 54.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -107.59 157.26 18.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.186 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.94 111.0 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.576 HD22 ' HA ' ' A' ' 65' ' ' CYS . 42.9 mt -91.33 11.91 22.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -55.94 -55.21 35.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -93.8 -57.0 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -43.22 -44.56 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.47 155.0 17.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.471 ' CE1' HD22 ' A' ' 32' ' ' LEU . 7.6 p-80 -119.27 159.5 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -128.31 166.25 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.43 112.12 23.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.5 t -140.61 119.91 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 54.33 39.64 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 t0 64.14 32.07 12.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' OE1' HG21 ' A' ' 45' ' ' THR . 35.6 mt-30 -132.34 174.24 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.48 HD11 ' NH1' ' A' ' 37' ' ' ARG . 12.1 pt -123.6 137.21 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 62.0 m-85 -145.49 172.68 12.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.576 ' HA ' HD22 ' A' ' 51' ' ' LEU . 24.8 p -85.17 144.81 27.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' CYS . 42.3 tt0 -37.4 -42.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.67 -66.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 69' ' ' ALA . 17.5 m170 -59.59 -54.91 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -34.2 -59.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -49.9 -49.77 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -54.97 -41.23 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 73' ' ' VAL . 54.0 mtt85 -68.2 -52.07 38.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 69' ' ' ALA . 98.4 t -34.49 -60.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' GLY . 3.3 m -102.57 120.84 41.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' SER . . . -36.89 137.7 0.51 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.67 23.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.5 p -139.78 120.61 14.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.4 t -138.73 130.8 28.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.485 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -42.88 -57.35 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -83.28 -53.35 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.42 46.33 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.458 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -119.82 126.12 50.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -148.91 121.73 8.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 9' ' ' ILE . . . 172.93 67.74 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.546 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m 53.37 42.15 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 7' ' ' GLY . 35.4 pt -137.48 158.0 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.56 166.26 40.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -127.64 129.52 47.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.347 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.65 134.19 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -64.95 137.37 57.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 15' ' ' LEU . 4.9 mptt -99.48 17.97 19.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.686 HD13 HG22 ' A' ' 26' ' ' VAL . 35.0 mt -136.21 137.6 25.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.78 92.5 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' HG3' ' A' ' 17' ' ' MET . 9.8 ptp -55.94 137.1 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 10.1 t -60.61 145.03 50.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -82.39 -40.19 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 9.8 tptm -52.13 -63.76 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -89.02 -65.23 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 122.65 53.7 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.0 p -139.38 143.33 37.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.39 123.51 15.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.557 HG21 ' HB3' ' A' ' 29' ' ' PHE . 86.6 mt -79.79 143.62 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG22 HD13 ' A' ' 15' ' ' LEU . 74.2 t -138.7 117.55 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.47 -137.63 13.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.31 144.11 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.557 ' HB3' HG21 ' A' ' 25' ' ' ILE . 17.4 p90 -166.67 170.88 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' A' ' 42' ' ' TYR . 95.1 t -103.72 103.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -74.77 125.45 28.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 ' HE1' ' A' ' 58' ' ' PHE . 10.8 mp -105.0 165.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' LEU . 15.1 ttt85 -32.01 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.01 -2.42 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 32.6 mmt180 -118.95 178.96 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.536 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 7.9 m80 -148.35 138.18 22.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.482 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 31.6 mtt180 -136.08 157.06 47.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 17.8 m80 -63.05 163.07 18.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 54.0 Cg_endo -69.77 -20.24 35.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -101.71 -30.13 11.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 56.5 m -82.84 0.51 43.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 56' ' ' HIS . 29.5 t80 -76.02 13.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 50' ' ' ASN . 34.0 m -85.83 157.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.31 153.75 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.509 ' HB ' ' CE2' ' A' ' 64' ' ' TYR . 91.5 m -88.87 -34.28 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 32.8 t0 -68.54 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.7 -64.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.93 43.31 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -98.2 149.09 22.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.544 ' HA ' HG12 ' A' ' 43' ' ' VAL . 9.4 m120 -66.83 108.06 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.4 mt -83.85 11.55 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -42.81 -56.23 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 54' ' ' LYS . 31.6 mt-30 -94.66 -61.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' GLN . 35.2 mttm -36.12 -47.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.5 160.07 17.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 36.2 p-80 -116.08 142.25 47.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 20.9 m-85 -111.27 141.32 44.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.693 ' HE1' HD23 ' A' ' 32' ' ' LEU . 31.2 m-85 -90.24 111.92 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.4 t -141.87 109.38 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 62.52 41.17 9.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 63.43 31.98 14.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -134.03 176.79 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.482 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 5.1 pt -127.61 134.97 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CE2' ' HB ' ' A' ' 45' ' ' THR . 38.2 m-85 -144.33 174.63 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 68' ' ' HIS . 27.0 p -92.22 137.31 32.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' CYS . 27.2 tt0 -33.17 -40.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -57.67 -49.68 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' CYS . 9.5 m170 -83.97 -52.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.76 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 7.1 ptm180 -52.77 -40.49 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.8 mt-10 -64.13 -39.21 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -65.69 -56.07 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.7 t -39.36 -54.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.6 p -65.13 -57.31 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -38.56 144.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.464 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.19 68.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -73.73 122.33 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 t -76.4 -57.75 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.468 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -138.89 124.24 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -88.38 176.1 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.54 40.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.6 p -99.41 136.86 38.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -150.44 160.26 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.96 137.44 7.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -149.79 135.05 18.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.5 tt -107.3 145.39 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.34 131.38 10.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -113.84 129.26 56.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 112.22 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 1.9 pm0 -91.71 126.65 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -111.0 18.01 19.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.2 mt -137.2 144.68 46.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 101.13 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.627 2.218 . . . . 0.0 112.356 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.4 mtt -59.26 128.46 37.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.14 160.59 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -97.21 -54.76 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -50.51 -62.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 p -87.63 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 50.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.6 p -130.01 131.36 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.148 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.27 107.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.605 HG21 ' CB ' ' A' ' 29' ' ' PHE . 41.3 mt -65.35 147.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 26' ' ' VAL . 12.9 p -141.5 127.19 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.94 -134.55 13.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.55 139.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CB ' HG21 ' A' ' 25' ' ' ILE . 10.0 p90 -167.01 159.17 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.5 t -90.12 102.78 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.594 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -76.18 107.52 8.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.561 HD11 ' NH2' ' A' ' 37' ' ' ARG . 29.4 mt -81.92 165.7 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' LEU . 27.0 ttt180 -32.02 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -118.02 10.77 13.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 22.3 mmt180 -129.16 174.36 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.594 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 79.0 m80 -134.32 151.37 51.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 1.016 ' NH2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -155.13 171.09 20.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 29.4 m80 -86.09 162.44 46.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.644 0.735 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.5 Cg_endo -69.77 -10.02 27.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -116.16 -24.5 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.457 ' C ' ' H ' ' A' ' 43' ' ' VAL . 74.9 m -84.04 1.46 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 7.8 t80 -74.12 17.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' H ' ' C ' ' A' ' 41' ' ' CYS . 35.8 m -82.87 158.3 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' HB2' HD21 ' A' ' 51' ' ' LEU . 46.1 t -52.44 162.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.1 m -94.74 -36.47 11.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 23.3 t0 -67.15 -67.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p -88.59 -56.45 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.98 49.04 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.7 t -108.86 152.14 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.347 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -61.67 121.05 11.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 23.0 mt -98.47 17.1 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -54.26 -58.54 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.82 -56.54 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -51.53 -52.12 49.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.22 161.5 24.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.625 ' CD2' HG22 ' A' ' 63' ' ' ILE . 3.2 p-80 -116.23 154.9 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.58 162.42 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -105.09 110.74 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.4 t -141.19 118.44 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 55.41 42.59 29.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.3 t0 60.78 31.99 20.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -132.37 173.98 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.016 HD13 ' NH2' ' A' ' 37' ' ' ARG . 4.7 pt -122.99 139.69 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -151.27 162.06 41.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 15.8 p -79.18 143.84 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' CYS . 40.5 tt0 -36.21 -44.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -54.49 -57.56 10.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 12.5 m170 -67.96 -54.62 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -37.39 -62.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -44.69 -46.11 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.74 -36.34 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -66.93 -52.42 43.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.04 -27.16 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.5 t -94.88 127.58 41.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' A' ' 77' ' ' SER . . . -108.24 162.68 12.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 11.66 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 75' ' ' GLY . 60.4 p -52.09 128.49 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.6 m -96.19 167.0 11.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.498 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -105.3 145.38 30.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m 58.03 42.09 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.53 87.03 0.93 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -154.23 158.44 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.841 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -138.3 168.06 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.55 61.76 4.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -77.41 176.32 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.7 mp -77.2 138.34 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.39 54.41 0.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -150.11 125.56 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.27 145.25 32.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -99.79 156.37 17.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -104.11 17.97 23.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -140.71 138.34 18.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.596 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.2 Cg_endo -69.76 97.3 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 ptp -54.14 139.11 36.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.517 ' HA ' HD11 ' A' ' 25' ' ' ILE . 12.6 t -52.07 161.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -102.24 -35.35 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 29.4 tttm -68.72 -49.72 56.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.75 -51.1 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.11 63.02 0.77 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLY . 6.1 p -149.17 135.52 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' THR . . . -36.67 111.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 16' ' ' PRO . 92.2 mt -69.54 106.5 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.8 p -108.06 114.87 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.29 -139.3 14.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' HB ' ' HG3' ' A' ' 39' ' ' PRO . 15.8 t -55.56 147.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 25' ' ' ILE . 20.4 p90 -168.74 151.75 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -102.26 102.04 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -64.42 102.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' ARG . 32.5 mt -83.74 166.99 17.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.5 ttt180 -32.01 -76.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -117.97 8.68 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 25.8 mmm180 -129.59 176.98 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 12.2 m80 -146.39 120.59 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 20' ' ' LYS . 16.5 mtt180 -122.87 165.12 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 20.7 m80 -69.72 159.32 84.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.46 ' HG3' ' HB ' ' A' ' 28' ' ' VAL . 54.4 Cg_endo -69.7 -5.37 16.02 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.9 -25.73 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.7 m -85.74 -0.68 55.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 15.1 t80 -75.11 8.77 2.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 50' ' ' ASN . 34.6 m -74.98 156.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.419 ' HB2' HD21 ' A' ' 51' ' ' LEU . 44.7 t -52.1 161.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.505 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 92.4 m -92.65 -37.01 12.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 13.8 t0 -67.13 -68.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 p -87.33 -58.74 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.03 54.77 0.48 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -111.62 149.45 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.765 0.317 . . . . 0.0 111.177 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' HA ' HG12 ' A' ' 43' ' ' VAL . 5.6 m120 -59.8 111.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 44' ' ' CYS . 38.0 mt -88.28 10.76 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -50.83 -57.02 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -92.29 -50.34 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mttm -50.73 -49.11 58.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.39 165.0 19.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -132.37 159.28 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 31.0 m-85 -123.92 167.43 14.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -109.12 110.93 22.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.0 t -140.8 116.07 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 57.6 41.12 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.17 32.0 17.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.39 177.64 7.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.3 pt -125.8 141.2 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 55.7 m-85 -148.64 166.41 28.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' GLU . 27.1 p -80.54 143.89 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.555 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 42.1 tt0 -35.48 -45.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -54.2 -64.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 11.1 m80 -60.99 -55.06 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.64 -51.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 70' ' ' ARG . 37.3 mtm180 -56.45 -48.48 76.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' HIS . 34.8 mt-10 -57.09 -40.38 76.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.46 -49.06 67.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.4 t -62.69 -57.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.3 m -100.31 107.75 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.1 160.21 8.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 142.7 48.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -61.15 -57.46 12.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -52.71 129.15 28.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.507 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 m -142.86 156.06 44.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -153.88 167.02 31.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.83 166.44 33.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.556 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -121.57 112.27 18.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -111.88 168.15 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.95 155.34 6.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -154.13 154.73 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.8 pt -99.13 134.34 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.59 -115.23 5.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -117.63 145.46 44.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.96 132.97 39.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -118.54 126.58 52.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -113.35 132.58 55.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.26 158.68 76.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.565 0.698 . . . . 0.0 110.933 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.68 110.75 2.61 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.03 128.28 23.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.84 144.85 47.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.08 -29.69 28.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 25.5 tptt -69.41 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -97.59 -67.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.96 53.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 p -138.24 138.97 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.69 110.19 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.556 HG21 ' CB ' ' A' ' 29' ' ' PHE . 96.6 mt -68.51 102.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.2 p -104.65 108.41 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.95 -158.77 14.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 p -55.06 138.52 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CB ' HG21 ' A' ' 25' ' ' ILE . 6.8 p90 -158.61 166.11 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.652 HG23 ' HA ' ' A' ' 39' ' ' PRO . 21.2 t -102.23 103.75 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.9 tmtm? -76.03 113.02 13.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 56' ' ' HIS . 91.6 mt -81.86 165.29 20.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 32' ' ' LEU . 43.3 mtt180 -32.0 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.99 5.01 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 28.5 mmm-85 -122.76 174.47 7.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.603 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 76.1 m80 -133.72 144.72 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 37' ' ' ARG . 10.6 mtt-85 -149.75 159.72 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.443 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 10.2 m80 -68.45 163.77 50.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.652 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.5 Cg_endo -69.83 -13.56 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.6 pt-20 -113.38 -25.41 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 73.3 m -79.42 -5.77 55.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 17.3 t80 -73.73 9.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 40' ' ' GLU . 32.7 m -80.81 157.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.161 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.4 t -53.77 153.95 4.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 26.6 m -86.97 -33.91 19.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 3.7 t70 -67.76 -66.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.68 -62.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.88 54.0 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.3 t -107.66 148.63 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -58.6 109.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 65' ' ' CYS . 49.9 mt -88.11 14.81 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.48 -54.28 45.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.63 -49.4 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -48.63 -56.55 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.64 155.44 9.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.556 ' CE1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -114.31 153.9 28.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -122.47 166.19 15.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -113.37 110.72 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 72' ' ' ARG . 71.5 t -141.43 121.86 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 52.44 41.3 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 62.22 32.06 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -132.31 175.15 9.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.4 pt -122.71 138.9 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.575 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 52.4 m-85 -148.94 172.64 14.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' GLU . 22.5 p -88.88 144.15 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' CYS . 31.6 tt0 -35.48 -43.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -54.34 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.8 m170 -67.81 -56.03 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -35.2 -59.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -48.07 -45.23 32.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.51 -34.4 77.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.575 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 13.7 mtp85 -69.21 -55.21 11.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p -62.68 -34.37 65.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 t -74.89 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.87 123.67 0.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -13.31 34.61 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.317 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 m -123.64 111.16 15.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -94.98 126.49 40.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.071 -0.849 . . . . 0.0 112.497 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -152.09 144.86 24.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -129.97 138.7 50.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.16 49.05 64.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -111.83 -37.78 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -150.97 115.12 5.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.48 135.74 2.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.6 p -109.08 142.21 40.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 mt -137.26 151.03 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.61 91.74 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -146.41 123.4 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.16 -44.49 59.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -65.96 159.26 26.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.35 175.23 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -105.98 150.73 39.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.76 109.2 2.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.71 144.07 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.7 t -86.82 121.48 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.89 -33.17 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 6.3 tppt? -65.62 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -88.21 -65.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.53 41.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.8 p -128.06 131.23 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.72 111.65 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.434 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.765 HG21 ' HB3' ' A' ' 29' ' ' PHE . 11.5 mt -68.09 150.89 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.5 p -133.7 123.44 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.89 -144.11 23.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -54.55 136.78 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.765 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.6 p90 -167.81 163.04 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG12 HD22 ' A' ' 32' ' ' LEU . 55.5 t -84.29 101.99 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -83.03 103.8 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD22 HG12 ' A' ' 30' ' ' VAL . 1.8 mm? -82.36 162.55 22.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 32' ' ' LEU . 41.6 mtt180 -33.3 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.99 11.98 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 18.9 mmt180 -128.77 174.48 9.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.499 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . 75.9 m80 -138.53 152.7 48.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.723 ' CZ ' HG21 ' A' ' 63' ' ' ILE . 16.0 mtm-85 -157.09 174.89 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.477 ' CD2' HG23 ' A' ' 25' ' ' ILE . 18.6 m80 -94.08 160.14 32.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.314 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 43' ' ' VAL . 5.8 pt-20 -116.88 -32.93 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 55.2 m -76.26 -23.83 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -43.77 -21.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 40' ' ' GLU . 18.3 m -53.48 149.21 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.6 t -52.02 157.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 96.5 m -92.89 -33.48 14.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.3 m-20 -68.67 -61.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.37 -59.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.71 53.75 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.4 t -113.93 148.19 37.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.42 113.67 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 65' ' ' CYS . 34.1 mt -94.3 14.24 20.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -41.26 -59.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 54' ' ' LYS . 14.6 mm100 -97.42 -55.72 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLN . 31.3 mttm -32.84 -66.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.79 166.24 11.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -133.13 170.67 15.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -140.36 155.23 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -97.7 113.72 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -140.71 118.34 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 54.09 40.51 31.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 64.38 31.95 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -133.93 177.66 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.723 HG21 ' CZ ' ' A' ' 37' ' ' ARG . 7.1 pt -126.09 139.91 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 78.9 m-85 -147.71 168.29 22.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.563 ' HB3' HD21 ' A' ' 51' ' ' LEU . 25.1 p -81.26 139.57 35.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' CYS . 24.9 tt0 -35.15 -41.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 69' ' ' ALA . 4.3 m80 -64.67 -55.39 20.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.44 -61.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -45.68 -50.1 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.8 -40.38 75.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.8 t -44.38 -59.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.3 t -64.93 176.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -129.09 146.04 16.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -43.49 2.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -144.67 148.16 33.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -69.47 167.63 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -139.41 115.33 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -76.95 148.26 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.45 133.05 5.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -92.95 154.88 17.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -70.09 174.18 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.33 132.97 8.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -127.53 130.31 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -120.75 137.41 54.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.12 -124.19 3.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.503 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -103.23 129.1 50.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.81 -44.58 40.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -140.68 143.37 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -97.4 17.96 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.39 137.97 13.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.0 Cg_endo -69.76 94.16 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.644 2.229 . . . . 0.0 112.376 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.7 ptm -59.99 126.84 29.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.5 t -52.17 144.02 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -83.67 -35.19 24.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 30.7 tptt -60.61 -67.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 p -79.63 -62.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.8 48.8 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.9 p -136.18 146.3 46.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 116.0 5.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.666 HG21 ' HB3' ' A' ' 29' ' ' PHE . 89.8 mt -72.14 135.98 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.6 p -130.63 118.42 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.73 -135.42 12.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.37 144.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' A' ' 25' ' ' ILE . 22.1 p90 -168.21 161.7 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 39' ' ' PRO . 90.2 t -96.2 102.05 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.597 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -75.62 109.01 8.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' ARG . 86.5 mt -81.55 164.06 22.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 32' ' ' LEU . 2.1 mpt_? -32.02 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 18.1 t70 -117.98 10.57 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 31.6 mmt180 -129.34 174.49 9.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.597 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 58.7 m80 -139.41 137.19 35.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -143.96 169.67 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 15.1 m80 -77.96 163.33 63.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 53.6 Cg_endo -69.72 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 pt-20 -115.31 -29.61 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 57.4 m -79.67 -5.79 55.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 20.4 t80 -74.43 8.73 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 50' ' ' ASN . 35.4 m -78.73 167.18 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -59.27 150.37 26.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.419 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 94.9 m -84.04 -32.85 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 9.9 t70 -69.21 -66.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.56 -64.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.59 54.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -108.55 150.14 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.433 ' HA ' HG12 ' A' ' 43' ' ' VAL . 2.6 t-20 -57.4 114.58 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 34.0 mt -98.64 13.19 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.4 -59.23 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -93.35 -47.47 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -44.25 -62.79 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.43 154.03 8.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.402 ' CE1' HD22 ' A' ' 32' ' ' LEU . 3.9 p-80 -122.33 153.75 38.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -126.98 170.5 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -112.38 116.41 30.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 72' ' ' ARG . 61.4 t -144.31 114.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 58.09 40.31 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 64.15 32.07 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -133.36 176.61 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.8 pt -124.98 135.37 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 69.1 m-85 -142.31 176.18 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 2.9 p -95.15 141.28 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 65' ' ' CYS . 41.1 tt0 -32.71 -39.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 tmtp? -55.58 -58.66 6.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' ND1' ' HB3' ' A' ' 46' ' ' ASP . 12.3 m170 -73.83 -48.96 27.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.66 -61.08 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 70' ' ' ARG . 6.8 ptt180 -50.54 -25.74 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.37 -22.14 25.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.613 ' HB3' HG11 ' A' ' 59' ' ' VAL . 17.3 mtp85 -87.85 -34.64 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 74' ' ' SER . 13.6 m -59.17 -48.68 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 73' ' ' VAL . 53.7 p -87.12 164.43 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.76 -131.24 0.24 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 151.39 69.34 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.673 2.248 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.7 p -48.46 -46.2 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -95.78 145.17 25.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.523 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -62.0 141.48 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 t -87.27 167.56 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.56 61.11 0.41 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 m -102.92 176.0 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.806 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -84.92 -51.74 6.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.71 -75.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -140.39 157.84 44.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.856 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 10' ' ' GLY . 38.4 pt -110.53 143.44 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . 35.5 -124.92 0.7 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -120.78 156.27 32.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.09 110.85 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.501 ' C ' ' CG ' ' A' ' 14' ' ' LYS . 18.0 pt20 -141.66 154.45 45.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' CG ' ' C ' ' A' ' 13' ' ' GLN . 1.1 ptpt 47.56 37.3 6.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.947 HD13 ' O ' ' A' ' 25' ' ' ILE . 22.4 mt -122.95 148.93 55.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 109.65 2.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mtt -61.46 132.53 53.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.9 t -62.11 147.19 48.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.5 ' HB3' ' CG ' ' A' ' 37' ' ' ARG . 36.0 t0 -84.73 -32.21 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 18.0 tptp -69.83 -69.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.73 -65.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.6 48.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.9 p -130.06 134.46 47.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 111.163 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.88 108.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.947 ' O ' HD13 ' A' ' 15' ' ' LEU . 57.3 mt -66.8 144.78 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -137.71 118.61 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.67 -128.99 9.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.425 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.587 HG13 ' HG3' ' A' ' 39' ' ' PRO . 4.4 p -73.45 141.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.809 ' HB3' HG21 ' A' ' 25' ' ' ILE . 31.2 p90 -164.93 157.77 16.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 39' ' ' PRO . 42.4 t -91.95 102.07 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 2.9 tmtp? -75.3 102.05 4.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 22.8 mt -96.11 169.96 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.619 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.9 mmt-85 -51.97 124.97 14.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' ARG . 1.8 m-20 32.66 28.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 33' ' ' ARG . 24.9 mmt180 -137.88 173.25 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -149.97 129.84 13.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 8.6 mtt85 -143.65 165.47 27.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 13.8 m80 -80.01 161.69 64.88 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.587 ' HG3' HG13 ' A' ' 28' ' ' VAL . 53.7 Cg_endo -69.74 -9.69 26.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.91 -24.42 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 71.9 m -82.02 -3.85 55.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' TYR . 12.6 t80 -73.43 5.5 3.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -73.22 159.3 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.34 153.38 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 ' NE2' ' A' ' 62' ' ' GLN . 85.5 m -87.68 -34.59 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 20.2 t0 -67.21 -66.75 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.3 -62.43 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.84 54.81 0.25 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -111.09 148.86 31.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -57.08 116.4 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 65' ' ' CYS . 42.0 mt -97.5 11.81 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -56.49 -58.95 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -85.59 -59.6 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -46.45 -45.39 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.17 168.71 20.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -131.26 159.89 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -129.17 154.97 46.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -98.33 112.36 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.52 112.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 60.39 42.42 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.21 32.04 19.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' NE2' HG21 ' A' ' 45' ' ' THR . 16.3 mt-30 -134.04 178.03 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.91 137.71 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CE2' ' NE ' ' A' ' 72' ' ' ARG . 58.7 m-85 -143.39 174.47 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' GLU . 20.8 p -88.94 145.29 25.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' CYS . 34.7 tt0 -36.21 -42.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -57.41 -58.69 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 4.7 m170 -65.73 -60.4 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -37.88 -39.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -67.01 -44.98 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' HIS . 5.8 pt-20 -70.48 -29.49 66.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.559 ' NE ' ' CE2' ' A' ' 64' ' ' TYR . 14.2 mtp85 -65.39 -50.53 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.4 t -59.81 -57.98 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 t -102.58 127.38 49.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.17 -142.63 10.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 178.19 4.81 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.67 2.246 . . . . 0.0 112.384 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.8 p -125.84 131.67 52.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -84.2 147.11 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.524 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m -81.74 143.07 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -137.41 162.54 33.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.05 -115.72 0.66 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.523 ' HB2' HG11 ' A' ' 26' ' ' VAL . 19.5 p 51.97 39.76 26.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -117.25 134.37 54.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.47 139.98 3.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.5 p -59.02 -47.36 85.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.9 tt -131.29 118.2 39.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.7 90.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -138.52 139.59 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' HD11 ' A' ' 15' ' ' LEU . . . -72.24 165.42 24.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -73.63 -62.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -123.22 136.61 54.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 12' ' ' ALA . 10.4 mt -145.66 143.57 20.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.579 ' O ' HD12 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.79 94.35 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mtt -53.49 128.74 29.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.0 t -52.14 158.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' CB ' HH21 ' A' ' 35' ' ' ARG . 39.7 t0 -98.91 -42.75 7.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -60.58 -60.7 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 p -90.0 -58.06 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.25 58.05 0.5 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -137.52 142.86 41.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.85 110.52 0.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.585 HG21 ' CB ' ' A' ' 29' ' ' PHE . 95.9 mt -67.36 142.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 5' ' ' SER . 7.5 p -136.35 129.5 46.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.23 -136.53 17.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.96 143.83 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CB ' HG21 ' A' ' 25' ' ' ILE . 21.8 p90 -168.03 165.86 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' A' ' 39' ' ' PRO . 86.2 t -95.9 107.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -84.04 123.1 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' CE1' ' A' ' 56' ' ' HIS . 78.3 mt -98.88 165.87 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -32.04 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -118.08 -2.74 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.9 mmm180 -113.83 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.585 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 62.1 m80 -143.05 147.23 34.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -148.57 175.5 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 11.7 m80 -84.9 163.11 47.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.528 ' HA ' HG23 ' A' ' 30' ' ' VAL . 54.0 Cg_endo -69.75 -9.66 26.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.2 pt-20 -115.01 -28.6 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.2 m -76.75 -28.58 55.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -44.18 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 40' ' ' GLU . 27.8 m -52.09 161.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 45' ' ' THR . 41.4 t -55.08 162.59 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.403 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 95.3 m -90.2 -38.65 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 9.8 t0 -65.9 -65.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -91.19 -61.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.436 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 113.98 50.68 0.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -103.34 149.55 24.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -59.44 117.47 4.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 65' ' ' CYS . 19.2 mt -103.15 15.01 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -42.44 -55.87 3.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' LYS . 76.4 mt-30 -98.02 -58.44 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 53' ' ' GLN . 51.5 mttm -33.54 -48.71 0.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.68 168.66 19.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.542 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.622 ' CD2' HG22 ' A' ' 63' ' ' ILE . 3.3 p-80 -133.19 156.21 47.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' A' ' 66' ' ' GLU . 40.8 m-85 -118.97 166.74 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -113.69 111.56 22.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 1.016 HG13 ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -154.04 126.48 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 59.38 40.28 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 t70 54.97 31.98 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -135.5 178.0 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.622 HG22 ' CD2' ' A' ' 56' ' ' HIS . 5.2 pt -128.9 130.96 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 1.016 ' CE2' HG13 ' A' ' 59' ' ' VAL . 7.3 m-85 -133.12 176.58 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.635 ' HB3' HD21 ' A' ' 51' ' ' LEU . 15.7 p -89.98 141.12 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.558 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 51.7 tt0 -32.05 -36.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 13.2 ttmm -63.76 -58.59 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 29.7 m170 -69.45 -43.94 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.53 -63.0 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 21.3 ptt180 -49.93 -37.03 29.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 34.1 mt-10 -67.6 -39.1 84.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -76.16 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.6 t -45.18 -48.28 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.1 t -82.17 132.29 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.43 -153.04 23.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 -30.35 22.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -81.34 174.58 11.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.6 p -79.04 134.05 36.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.437 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p -58.98 137.35 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -93.32 -52.63 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.14 -177.69 18.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -125.17 155.23 40.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -92.27 -56.79 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.76 115.24 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.1 t -78.76 -56.7 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.715 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -100.26 145.03 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.26 154.8 22.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.51 153.33 35.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' GLN . . . -95.26 -41.23 9.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' ALA . 14.9 mm-40 -36.15 -40.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -59.03 139.62 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.832 ' H ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.62 158.82 86.74 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 15' ' ' LEU . 53.6 Cg_endo -69.72 109.85 2.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.361 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 22' ' ' GLY . 5.2 mtt -52.04 125.75 16.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 2.9 t -60.72 153.66 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -70.01 -47.75 60.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -56.18 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -68.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 17' ' ' MET . . . 102.12 44.4 1.89 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -97.99 -68.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 111.121 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.52 97.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 29' ' ' PHE . 60.4 mt -55.81 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 111.155 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.04 130.38 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -147.34 45.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 p -52.0 149.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.56 ' HB3' HG23 ' A' ' 25' ' ' ILE . 16.6 p90 -165.54 175.81 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 39' ' ' PRO . 25.0 t -118.03 102.03 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.612 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 7.6 tmtt? -76.46 115.14 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 56' ' ' HIS . 79.1 mt -80.99 166.43 20.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -31.96 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' O ' ' NE ' ' A' ' 35' ' ' ARG . 75.9 m-20 -117.92 9.07 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 34' ' ' ASP . 16.1 mmp_? -128.38 173.73 9.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.612 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 60.6 m80 -131.97 146.23 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' NH2' HG12 ' A' ' 63' ' ' ILE . 11.2 mtt180 -153.06 147.4 25.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 22.2 m170 -56.86 161.07 5.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.628 ' HA ' HG23 ' A' ' 30' ' ' VAL . 53.9 Cg_endo -69.78 -7.41 21.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -117.64 -23.93 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.0 m -82.18 -8.28 59.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -70.94 5.39 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -78.63 159.94 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.3 t -54.58 152.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.452 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 90.4 m -85.83 -32.39 21.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 5.6 t0 -69.15 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.3 p -94.77 -64.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.74 54.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -104.89 148.75 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.74 107.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 65' ' ' CYS . 45.4 mt -90.52 11.88 20.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -46.95 -55.96 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -96.86 -56.21 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -39.84 -48.52 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 163.42 19.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.447 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.6 ' CE1' HD22 ' A' ' 32' ' ' LEU . 6.1 p-80 -126.89 164.31 21.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -126.95 167.2 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -113.25 110.49 20.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.429 ' CG1' ' HE ' ' A' ' 72' ' ' ARG . 60.3 t -141.13 118.97 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 56.06 40.22 30.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.3 t70 62.79 32.04 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -132.93 174.34 10.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.428 HG12 ' NH2' ' A' ' 37' ' ' ARG . 11.9 pt -123.51 140.33 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.452 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 58.9 m-85 -148.37 175.23 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.527 ' HB3' HD21 ' A' ' 51' ' ' LEU . 26.7 p -94.89 141.07 29.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' CYS . 43.2 tt0 -33.52 -40.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -57.74 -49.59 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 9.4 m170 -81.88 -52.76 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -43.94 -54.94 4.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -51.54 -34.63 37.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -72.53 -31.71 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 74' ' ' SER . 29.9 mtp85 -73.54 -48.88 29.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 69' ' ' ALA . 0.8 OUTLIER -36.13 -31.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ARG . 15.1 t -43.84 -47.01 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 126.95 148.55 7.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 154.14 68.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.1 p -82.08 158.68 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.6 p -52.1 123.25 10.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.484 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -147.6 149.89 33.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -149.19 144.42 26.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.58 -101.72 2.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 55.91 42.08 29.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -127.52 147.35 50.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.75 135.83 4.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -80.79 143.51 32.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -108.56 -37.6 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.11 -179.63 1.12 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.479 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -121.42 123.74 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.51 135.1 22.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.082 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 62.23 41.75 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 145.33 45.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 25' ' ' ILE . 67.7 mt -69.33 147.95 97.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 54.0 Cg_endo -69.77 105.56 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.96 115.32 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 33.9 t -52.05 161.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 1.1 t0 -97.97 -45.26 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.01 -58.53 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 p -95.53 -63.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 23' ' ' THR . . . 114.38 69.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 22' ' ' GLY . 38.0 p -157.53 132.37 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.1 122.34 3.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.797 HG21 ' HB3' ' A' ' 29' ' ' PHE . 14.8 mt -80.53 161.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.8 p -131.75 123.88 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.38 -139.91 26.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.35 132.54 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.797 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.1 p90 -165.33 157.57 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.6 HG11 ' HB2' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -80.05 131.68 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -112.74 102.84 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' ARG . 58.5 mt -81.03 166.85 20.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -31.96 -73.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.98 9.06 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.3 mmt85 -130.08 173.82 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.589 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 36.0 m80 -137.46 153.38 50.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.871 ' NH1' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -147.59 165.04 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.499 ' NE2' HG12 ' A' ' 25' ' ' ILE . 26.9 m80 -79.41 158.21 74.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.1 27.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.248 . . . . 0.0 112.323 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -112.97 -22.47 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.45 ' O ' ' NH1' ' A' ' 37' ' ' ARG . 87.5 m -83.12 -29.83 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.6 ' HB2' HG11 ' A' ' 30' ' ' VAL . 22.6 t80 -43.46 -22.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.8 m -52.33 155.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.06 138.99 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.441 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 17.1 m -75.41 -26.95 58.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.603 ' OD1' ' CE1' ' A' ' 68' ' ' HIS . 11.1 t70 -71.57 -66.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.03 -64.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.4 49.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 t -108.53 137.87 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 0.0 111.136 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -57.53 116.27 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 65' ' ' CYS . 16.5 mt -93.19 9.41 36.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -45.11 -49.9 11.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -97.87 -54.72 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -45.23 -50.66 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.68 153.76 11.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 56' ' ' HIS . 2.0 p-80 -114.02 145.72 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 14.4 m-85 -112.25 150.31 31.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -96.13 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.57 111.28 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 59.08 42.76 18.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 62.46 32.02 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -132.42 171.49 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.871 HD11 ' NH1' ' A' ' 37' ' ' ARG . 6.6 pt -121.57 138.16 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.441 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 80.9 m-85 -147.12 174.1 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.481 ' HB3' ' CD2' ' A' ' 51' ' ' LEU . 4.1 p -90.55 150.87 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -42.44 -42.49 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -55.13 -66.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.603 ' CE1' ' OD1' ' A' ' 46' ' ' ASP . 6.0 m80 -61.8 -56.81 15.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -33.58 -61.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -43.09 -47.62 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -60.9 -37.47 82.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -69.48 -56.55 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 p -58.31 -29.67 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.3 t -74.61 -42.92 57.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.91 -156.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 134.39 27.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.385 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -165.87 152.82 9.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.4 m -153.98 164.11 38.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.486 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -127.7 136.42 51.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -161.89 160.67 28.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.72 91.71 1.51 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -52.48 150.74 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -157.42 164.48 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.86 42.41 0.59 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.4 m -86.67 -48.34 8.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.4 pt -77.01 135.61 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.12 -57.3 0.42 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.536 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -62.28 106.83 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.96 168.04 19.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -124.32 166.71 15.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 146.7 23.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt -138.83 146.2 49.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' O ' HD12 ' A' ' 25' ' ' ILE . 54.6 Cg_endo -69.76 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 mtt -52.45 135.27 33.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 48.9 t -54.78 149.74 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -28.07 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' CYS . 7.9 tmtm? -70.83 -65.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.5 p -91.93 -54.02 4.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.56 72.07 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.3 p -154.0 132.86 12.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -38.26 131.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.58 HG21 ' CB ' ' A' ' 29' ' ' PHE . 97.2 mt -94.99 148.97 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.7 p -143.85 138.97 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . 64.58 -143.54 47.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.46 133.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CB ' HG21 ' A' ' 25' ' ' ILE . 3.2 p90 -166.04 159.36 15.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.603 HG22 ' H ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -78.9 128.25 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.542 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -111.44 104.9 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 37' ' ' ARG . 28.0 mt -85.47 167.39 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 32' ' ' LEU . 63.4 mtt85 -31.96 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -117.89 4.85 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.7 mmt85 -123.71 171.58 9.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.542 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 9.0 m80 -140.79 148.55 40.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.738 ' CZ ' HD13 ' A' ' 63' ' ' ILE . 4.5 mtm-85 -145.43 170.17 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 19.5 m80 -82.58 159.81 63.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.59 34.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.718 2.278 . . . . 0.0 112.316 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -112.28 -17.84 12.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 85.1 m -92.41 3.03 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.427 ' HB2' HG11 ' A' ' 30' ' ' VAL . 19.1 t80 -78.07 17.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.429 ' HB ' ' C ' ' A' ' 48' ' ' GLY . 31.5 m -81.64 154.31 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.469 ' HB2' HD21 ' A' ' 51' ' ' LEU . 36.0 t -55.88 127.45 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -61.41 -29.83 70.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 10.5 t0 -69.76 -67.88 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.5 p -93.81 -63.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' C ' ' HB ' ' A' ' 43' ' ' VAL . . . 124.16 52.86 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -112.56 140.3 47.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -54.59 109.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 65' ' ' CYS . 31.4 mt -90.04 10.93 22.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -43.87 -58.28 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.35 -42.85 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -52.86 -44.62 66.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.82 149.88 25.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.561 ' CE1' HD22 ' A' ' 32' ' ' LEU . 13.5 p-80 -111.28 164.34 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 8.3 m-85 -127.05 168.62 14.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -111.98 113.05 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.596 HG11 ' HB3' ' A' ' 72' ' ' ARG . 57.9 t -140.73 119.78 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 52.22 44.38 29.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 61.0 32.05 19.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -133.43 177.18 7.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.738 HD13 ' CZ ' ' A' ' 37' ' ' ARG . 6.6 pt -124.97 147.28 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -156.13 172.06 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.625 ' HB3' HD21 ' A' ' 51' ' ' LEU . 27.5 p -86.7 138.35 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 65' ' ' CYS . 33.8 tt0 -32.69 -45.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -65.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' ALA . 8.1 m170 -63.47 -54.74 31.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' ARG . . . -33.87 -64.96 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HA ' ' CG1' ' A' ' 73' ' ' VAL . 53.7 mtp180 -39.35 -46.65 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.38 -36.39 80.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.596 ' HB3' HG11 ' A' ' 59' ' ' VAL . 26.3 mtt85 -78.04 -58.25 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 69' ' ' ALA . 7.5 p -58.38 -27.32 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 t -137.63 118.46 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.64 156.84 22.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.65 3.31 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.673 2.249 . . . . 0.0 112.366 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.62 -52.44 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -66.16 165.05 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.438 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -163.17 156.25 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -153.46 135.28 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.56 143.5 17.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 m -130.55 135.18 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.5 m -91.28 159.5 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.72 98.22 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -60.73 132.87 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.433 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -106.06 166.24 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.82 51.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -151.77 118.11 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.372 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.86 166.01 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.9 163.09 20.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -82.86 18.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 25' ' ' ILE . 46.3 mt -122.16 138.45 28.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.594 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 53.6 Cg_endo -69.77 112.6 3.12 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mtt -64.59 115.63 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 9.0 t -57.3 143.75 38.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 16.6 t0 -79.73 -36.5 37.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' CYS . 8.1 tptp -59.28 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.6 -69.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 126.65 56.31 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 p -141.27 131.38 24.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.03 123.54 5.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.738 HG21 ' HB3' ' A' ' 29' ' ' PHE . 6.4 mt -84.0 154.98 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -122.74 120.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.91 -134.58 16.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -53.77 134.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.738 ' HB3' HG21 ' A' ' 25' ' ' ILE . 3.1 p90 -168.04 153.13 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -76.03 135.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.115 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -116.77 102.39 9.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' ARG . 88.6 mt -81.6 167.48 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -31.96 -73.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.97 7.24 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 24.4 mmt180 -127.24 174.52 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.599 ' CD2' ' HG2' ' A' ' 31' ' ' LYS . 23.2 m80 -139.48 152.17 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.636 ' H ' HG22 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -145.98 166.02 27.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.596 ' CD2' HG12 ' A' ' 25' ' ' ILE . 25.1 m80 -78.6 156.55 77.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -5.99 17.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.72 -25.12 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 75.7 m -81.44 -26.8 35.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB2' HG11 ' A' ' 30' ' ' VAL . 29.3 t80 -45.34 -21.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.5 m -54.3 154.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.492 ' HB2' HD21 ' A' ' 51' ' ' LEU . 51.4 t -51.94 145.9 9.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.6 m -82.31 -28.88 31.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 20.1 t0 -73.04 -64.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 p -92.65 -66.46 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.11 44.94 0.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -106.53 139.2 41.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -55.53 114.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 44' ' ' CYS . 32.6 mt -87.23 14.27 8.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -50.88 -61.87 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -90.42 -43.39 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.02 -42.86 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.68 145.27 16.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.496 ' CD2' ' C ' ' A' ' 56' ' ' HIS . 1.4 p-80 -108.15 161.66 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 11.3 m-85 -128.36 171.39 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -114.59 109.97 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 72' ' ' ARG . 96.8 t -141.19 113.45 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 58.63 41.67 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t0 62.75 32.01 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.46 176.52 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.465 HG12 ' CZ ' ' A' ' 37' ' ' ARG . 7.0 pt -126.85 134.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -142.87 171.33 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.3 p -85.48 144.85 27.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -37.68 -43.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -55.33 -64.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 69' ' ' ALA . 6.5 m170 -63.98 -55.92 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' HIS . . . -34.35 -65.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -39.95 -50.29 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -55.21 -40.3 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 73' ' ' VAL . 55.4 mtt85 -71.68 -50.59 29.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 72' ' ' ARG . 86.4 t -32.57 -60.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' GLY . 35.4 t -56.81 139.22 51.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' SER . . . -36.69 120.24 0.62 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 172.5 12.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.4 m -63.87 -52.51 59.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 m -145.67 106.19 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.493 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_