data_2d8u_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 2d8u _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 ' 10' ' ' MET . . . . . 0.494 ' HE2' ' CE ' ' A' ' 18' ' ' LYS . 56.7 mtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.482 ' N ' HD11 ' A' ' 19' ' ' ILE . 12.6 t -48.42 133.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -64.37 -46.66 82.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.13 -56.69 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -96.49 94.55 7.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -49.52 -42.31 43.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 2.8 p30 -110.75 80.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -158.19 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.494 ' CE ' ' HE2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -63.23 118.6 8.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 11' ' ' CYS . 47.5 mm -51.05 131.73 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -106.09 -46.29 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -119.82 173.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 22.7 t80 -128.35 129.57 46.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.519 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.9 t -80.87 151.15 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -108.26 -61.03 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LEU . 51.5 m -33.05 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 11.8 p -75.3 -21.21 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 70.77 53.48 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.4 m -140.33 129.07 13.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 88.54 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -111.32 163.35 14.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -68.62 -176.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 1.3 t -92.91 -32.87 14.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -30.52 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.4 m -80.04 -21.44 43.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 13.6 tmtt? -87.71 -37.18 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.557 HG22 ' CE2' ' A' ' 37' ' ' PHE . 15.2 m -96.55 -28.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CE2' HG22 ' A' ' 36' ' ' VAL . 5.6 m-85 -128.71 43.03 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 -150.4 5.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.16 -17.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.363 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -74.7 58.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -98.74 -46.63 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.42 63.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 37.3 m -65.59 -178.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -131.94 101.57 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.24 149.59 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -128.66 166.04 27.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.568 0.699 . . . . 0.0 111.091 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' LEU . 54.0 Cg_endo -69.76 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' PRO . 19.2 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 ptm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -55.2 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -48.28 -45.98 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -95.13 151.76 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 8.0 pt-20 -97.08 -38.66 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 4.2 m-20 -105.02 -49.29 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.0 92.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -73.3 -178.73 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 30' ' ' THR . 32.0 mm -71.37 122.55 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -111.55 -37.45 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.457 HD13 ' CG1' ' A' ' 45' ' ' VAL . 32.8 pt -126.73 175.12 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.501 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 24.0 t80 -124.7 130.73 52.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.477 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.6 t -82.08 146.85 29.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -104.71 -61.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -31.71 -65.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.406 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 19.7 p -84.86 -14.71 47.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 64.53 52.02 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 2.3 m -136.93 124.29 14.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.69 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.48 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 12.3 t -116.47 157.42 25.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 p -57.04 171.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -87.1 8.01 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' PHE . 26.2 mmt -96.54 -38.67 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.461 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 61.6 m -68.53 -34.68 76.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -62.09 -62.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.579 HG21 ' CD2' ' A' ' 37' ' ' PHE . 35.3 m -77.37 -34.04 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CD2' HG21 ' A' ' 36' ' ' VAL . 6.8 m-85 -125.58 62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -174.76 172.96 45.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 40' ' ' HIS . 2.7 pp -50.71 -27.28 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.449 ' CD2' HD11 ' A' ' 39' ' ' ILE . 92.4 m-70 -72.64 66.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -100.7 -47.02 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.31 34.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 35.2 m -119.83 176.35 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -136.81 109.16 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.457 ' CG1' HD13 ' A' ' 21' ' ' ILE . 27.0 m -87.72 155.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -124.42 169.27 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 111.089 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.74 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 11.2 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.434 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 61.1 mmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.91 135.67 57.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -51.8 -41.43 61.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.41 -48.94 15.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -104.54 121.58 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -91.22 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.27 -45.17 9.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.61 118.07 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.4 mmmm -68.35 148.38 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.21 121.08 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -94.47 -46.32 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 28.4 pt -125.02 175.08 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 28.4 t80 -125.73 137.42 53.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.8 t -88.85 147.63 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' THR . 1.6 mp -104.05 -62.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 48.9 m -32.62 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.461 ' SG ' ' CG2' ' A' ' 28' ' ' VAL . 22.8 p -73.61 -13.9 61.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.0 52.71 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 3.8 m -138.64 128.1 14.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.438 ' HG1' ' N ' ' A' ' 31' ' ' CYS . 7.8 t -121.03 157.85 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' N ' ' HG1' ' A' ' 30' ' ' THR . 18.2 p -61.98 172.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.483 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 17.0 p -91.7 7.35 42.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 mmt -93.99 -33.95 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 38' ' ' GLY . 57.9 m -71.89 -43.83 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -54.56 -58.15 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG21 ' CD2' ' A' ' 37' ' ' PHE . 27.2 m -77.56 -37.86 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 36' ' ' VAL . 6.4 m-85 -127.06 67.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -168.96 -139.32 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.8 -24.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.12 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -69.33 69.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -101.18 -49.5 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.91 34.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.505 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 29.7 m -120.53 -174.91 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -138.51 106.95 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.5 m -89.64 149.61 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.53 162.15 52.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.8 Cg_endo -69.75 109.96 2.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.2 mm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.444 ' HE2' ' N ' ' A' ' 17' ' ' GLU . 77.6 mtp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.769 0.319 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.0 t -51.13 128.85 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -59.54 -46.16 89.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.18 -53.61 33.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -87.95 165.29 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.54 -44.67 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -118.37 47.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' N ' ' HE2' ' A' ' 10' ' ' MET . 26.8 tp10 -129.45 98.6 4.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -58.53 157.63 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.2 mm -70.23 128.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.7 -46.22 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 pt -122.1 174.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -127.53 131.22 50.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.1 t -84.96 141.5 30.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 24' ' ' LEU . 1.2 mp -97.32 -64.17 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.6 m -29.9 -72.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' SG ' ' CG2' ' A' ' 28' ' ' VAL . 18.1 p -75.91 -15.91 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.5 mt-10 64.18 54.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.434 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 5.7 m -138.51 125.12 12.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 91.74 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -112.16 165.06 12.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -64.14 173.22 2.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 p -96.28 8.0 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.2 mmt -96.24 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -76.48 -37.89 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -58.98 -60.23 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.572 HG23 ' CD2' ' A' ' 37' ' ' PHE . 26.9 m -76.17 -35.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CD2' HG23 ' A' ' 36' ' ' VAL . 3.8 m-85 -132.09 71.5 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.09 -116.75 0.38 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.498 HD12 ' CD2' ' A' ' 40' ' ' HIS . 2.7 pp -128.17 -29.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.498 ' CD2' HD12 ' A' ' 39' ' ' ILE . 95.8 m-70 -69.35 69.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -99.65 -44.66 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.17 32.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -120.47 178.35 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 16.9 mm-40 -130.37 109.15 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -94.66 145.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -123.53 168.48 12.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.102 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.78 91.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.494 ' HE3' ' CE ' ' A' ' 18' ' ' LYS . 40.8 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.426 ' N ' HD13 ' A' ' 19' ' ' ILE . 51.9 t -70.49 131.58 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -48.44 -40.8 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -85.0 -50.16 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -99.0 94.15 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -88.79 11.95 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.66 -54.99 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.29 139.04 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.494 ' CE ' ' HE3' ' A' ' 10' ' ' MET . 0.1 OUTLIER -65.68 165.17 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.433 HD13 ' C ' ' A' ' 10' ' ' MET . 29.8 mm -69.45 110.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -77.42 -50.9 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.478 HD13 ' CG1' ' A' ' 45' ' ' VAL . 27.9 pt -132.76 175.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CE1' HD12 ' A' ' 24' ' ' LEU . 7.4 t80 -121.65 134.08 54.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.1 t -83.67 141.71 31.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -98.31 -58.17 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 89.5 m -35.55 -67.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.532 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 17.7 p -83.47 0.69 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 13.1 pt-20 47.49 54.85 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 3.6 m -136.43 125.02 15.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.89 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -112.07 153.28 27.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.7 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -96.04 -28.1 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -36.98 70.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.518 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 63.4 m -71.45 -22.21 61.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.3 tptp -86.76 -55.68 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.545 HG21 ' CD2' ' A' ' 37' ' ' PHE . 27.5 m -60.77 -30.48 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CD2' HG21 ' A' ' 36' ' ' VAL . 9.1 m-85 -125.98 -58.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -39.33 164.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -56.15 -12.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 80.4 m-70 -74.91 45.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' ILE . 8.3 ptmt -90.94 -42.19 10.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -25.36 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 50.0 m -65.04 -177.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -134.69 101.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 21' ' ' ILE . 19.7 m -87.56 154.89 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.488 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -133.05 169.64 13.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 46' ' ' ALA . 54.3 Cg_endo -69.76 95.06 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 22' ' ' TYR . 9.7 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.407 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 13.8 mtp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.472 ' N ' HD13 ' A' ' 19' ' ' ILE . 16.2 t -64.75 125.76 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -43.25 -62.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.602 ' CE1' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -57.87 -173.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 8.4 mt-10 -121.59 90.59 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.472 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 3.6 p30 50.12 43.73 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 11.0 mm-40 -100.63 98.49 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLU . 29.1 mttp -32.84 115.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 11' ' ' CYS . 41.6 mm -39.94 132.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.83 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -114.77 175.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 24' ' ' LEU . 18.4 t80 -124.11 129.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.4 t -79.73 151.35 30.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 22' ' ' TYR . 1.9 mp -109.87 -60.66 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.4 m -32.52 -65.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 28' ' ' VAL . 12.7 p -81.71 -13.91 57.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 67.8 mm-40 64.84 52.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.437 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 4.6 m -139.84 129.78 13.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 88.18 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.389 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 t -115.1 149.68 37.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 24.2 p -52.77 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.482 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 6.2 t -96.25 -40.26 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -52.36 -42.6 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -68.06 -9.94 49.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' C ' ' CD ' ' A' ' 35' ' ' LYS . 3.4 tmtt? -95.71 -45.12 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 37' ' ' PHE . 35.1 m -83.21 -23.52 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 36' ' ' VAL . 55.7 m-85 -121.51 -46.15 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 -165.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.78 -14.26 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -71.26 65.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -100.99 -39.26 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.28 31.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.477 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 44.5 m -122.55 176.12 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -133.78 104.87 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.44 ' CG2' HD11 ' A' ' 21' ' ' ILE . 28.9 m -89.07 156.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -130.03 168.22 17.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.8 Cg_endo -69.78 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 10.9 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.409 ' HE3' ' C ' ' A' ' 16' ' ' ASP . 21.6 mtp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.768 0.318 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -65.31 116.68 6.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -38.14 -45.69 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 mt-10 -64.86 -58.31 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -102.83 104.66 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -88.57 2.32 53.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.409 ' C ' ' HE3' ' A' ' 10' ' ' MET . 5.5 m-20 -93.82 -51.83 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -89.32 139.89 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 164.81 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.39 118.24 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.475 HD13 ' CB ' ' A' ' 45' ' ' VAL . 27.9 pt -129.23 174.3 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CE2' HD11 ' A' ' 24' ' ' LEU . 37.4 t80 -125.64 132.76 52.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.5 t -87.6 138.17 31.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD11 ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -92.84 -58.16 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.445 ' HB ' ' SG ' ' A' ' 43' ' ' CYS . 94.9 m -34.97 -69.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 6.9 p -81.61 0.69 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 16.0 pt-20 47.01 55.02 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 26' ' ' CYS . 1.4 m -140.14 127.78 12.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -120.35 152.82 37.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -53.38 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -95.78 -24.49 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -38.62 87.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 67.8 m -72.88 -23.92 60.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HD3' ' CG1' ' A' ' 45' ' ' VAL . 2.5 tptm -83.25 -43.6 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.567 HG22 ' CE2' ' A' ' 37' ' ' PHE . 31.8 m -84.12 -27.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 36' ' ' VAL . 20.9 m-85 -117.24 -56.23 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' PHE . . . -48.94 -179.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.01 -3.93 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -82.11 36.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -82.51 -35.12 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -22.4 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.471 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 54.9 m -67.16 -175.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -141.99 105.01 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.475 ' CB ' HD13 ' A' ' 21' ' ' ILE . 25.5 m -87.84 158.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -129.49 169.27 13.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 46' ' ' ALA . 54.1 Cg_endo -69.7 88.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.374 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 47' ' ' PRO . 13.7 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.429 ' HE1' ' N ' ' A' ' 17' ' ' GLU . 35.4 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.55 148.37 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -47.91 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -64.89 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.605 ' CE1' ' SG ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -58.39 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -134.97 95.33 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t0 69.75 47.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' LYS . 17.2 mt-10 -117.96 101.35 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' GLU . 32.4 mmtt -33.89 131.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 20' ' ' ASN . 47.7 mm -68.08 150.01 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' HG21 ' A' ' 19' ' ' ILE . 6.6 m-20 -114.39 -45.26 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 HD12 ' CG2' ' A' ' 45' ' ' VAL . 38.5 pt -124.17 175.03 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 34.5 t80 -126.44 134.04 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 15.4 t -86.23 150.36 24.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -106.01 -60.34 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.3 m -33.88 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 9.1 p -69.72 -21.31 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' CYS . 25.2 mt-10 70.97 54.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.416 HG12 ' C ' ' A' ' 27' ' ' GLU . 1.1 m -144.35 130.72 10.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -109.74 147.53 33.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 13.7 p -53.86 175.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.4 t -86.47 -37.8 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -46.89 -40.3 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 68.3 m -72.17 -37.07 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' A' ' 45' ' ' VAL . 12.0 tptm -64.38 -53.48 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.581 HG22 ' CD2' ' A' ' 37' ' ' PHE . 30.0 m -81.64 -34.02 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CD2' HG22 ' A' ' 36' ' ' VAL . 4.3 m-85 -129.41 60.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.37 -172.27 35.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -23.02 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 82.1 m-70 -73.13 67.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -102.19 -51.36 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.64 34.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.493 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 28.1 m -118.96 -179.79 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.15 104.81 5.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 21' ' ' ILE . 35.6 m -92.25 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.11 160.46 64.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.532 0.682 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.6 Cg_endo -69.75 103.63 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 1.6 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.7 ptm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -44.61 108.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.3 ptpp? -57.47 -34.1 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 16.2 mm-40 -61.47 -44.86 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -106.97 104.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -34.61 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.47 -71.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -53.91 121.32 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -95.02 178.08 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.91 108.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -99.16 -38.31 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.7 pt -128.38 173.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.445 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 26.1 t80 -123.56 132.61 53.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.0 t -82.43 145.33 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -103.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 24' ' ' LEU . 49.8 m -30.15 -69.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 16.5 p -77.52 -19.17 56.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 40.0 mt-10 67.6 54.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.401 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 5.8 m -138.5 126.97 14.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 89.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' CYS . 10.1 t -114.91 153.74 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' THR . 14.8 p -50.33 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -94.14 -19.86 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 35' ' ' LYS . 28.9 mmt -67.38 -68.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.3 m -39.22 -25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' MET . 20.3 tptt -75.39 -61.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.596 HG22 ' CE2' ' A' ' 37' ' ' PHE . 3.4 m -72.86 -42.4 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' A' ' 36' ' ' VAL . 6.6 m-85 -125.89 69.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.94 -126.89 0.85 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.4 7.99 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -101.46 33.53 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -73.41 -37.94 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.24 33.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.114 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.494 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 48.7 m -127.46 -178.05 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -131.6 103.17 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -88.31 149.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.197 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -128.12 168.83 14.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 111.095 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 46' ' ' ALA . 53.2 Cg_endo -69.77 89.7 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 18.1 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.426 ' HE3' ' C ' ' A' ' 17' ' ' GLU . 23.1 mtp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.78 110.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -53.15 -52.4 58.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -42.69 -46.44 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -85.59 172.69 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -93.25 74.22 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.403 ' C ' ' HE3' ' A' ' 10' ' ' MET . 32.2 m-20 63.34 46.28 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HE3' ' A' ' 10' ' ' MET . 14.4 tp10 -92.56 122.77 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -46.91 131.7 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.92 134.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -104.5 -49.34 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.1 pt -125.69 174.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 30.7 t80 -124.08 138.11 54.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.3 t -91.39 146.96 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -103.28 -61.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.4 m -33.34 -70.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 19.8 p -77.48 -17.52 57.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 66.96 53.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.54 127.06 15.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 85.97 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -115.33 157.92 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 p -61.68 -176.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.9 t -92.69 -32.68 14.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -54.72 -33.35 60.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.6 -24.35 53.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -84.58 -40.23 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.575 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.6 m -94.18 -25.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.3 m-85 -131.21 42.31 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.87 -161.59 10.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.406 HD13 ' C ' ' A' ' 39' ' ' ILE . 2.7 pp -82.45 -15.93 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -75.48 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.28 -42.4 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.53 33.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.51 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.4 m -122.06 173.72 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -129.6 105.29 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -91.66 152.18 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.419 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -125.34 166.83 18.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 111.067 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.6 Cg_endo -69.77 87.42 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 22' ' ' TYR . 15.4 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.52 ' CE ' ' N ' ' A' ' 18' ' ' LYS . 15.6 mtp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.458 ' N ' HD12 ' A' ' 19' ' ' ILE . 11.0 t -66.39 151.4 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -94.54 -48.72 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -48.01 -44.14 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.538 ' CE1' ' SG ' ' A' ' 31' ' ' CYS . 11.3 m80 -77.94 175.2 10.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -96.36 67.05 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.63 54.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' C ' ' HE1' ' A' ' 10' ' ' MET . 22.7 tp10 -106.29 123.47 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.52 ' N ' ' CE ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -50.5 157.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 11' ' ' CYS . 45.0 mm -91.43 103.88 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -69.2 -58.13 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.477 HD13 ' CG1' ' A' ' 45' ' ' VAL . 9.6 pt -112.89 166.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 39.0 t80 -117.42 136.45 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.3 t -86.69 137.76 32.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD22 ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -95.72 -55.87 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 96.3 m -36.06 -66.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 17.4 p -86.45 1.13 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 9.5 pt-20 46.33 54.93 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 26' ' ' CYS . 2.1 m -138.76 127.28 13.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -128.11 159.62 34.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.538 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 14.1 p -60.03 -174.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.439 ' HB3' ' CE ' ' A' ' 33' ' ' MET . 29.2 t -96.74 -39.29 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -50.05 -31.64 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' O ' ' HA3' ' A' ' 38' ' ' GLY . 56.8 m -79.22 -23.71 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -85.9 -43.46 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.577 HG23 ' CD2' ' A' ' 37' ' ' PHE . 18.5 m -85.07 -33.36 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.5 m-85 -133.77 48.41 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 34' ' ' CYS . . . -152.47 177.77 30.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.49 ' CD1' ' N ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -56.35 -16.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 111.111 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -82.17 66.21 7.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -101.55 -43.77 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.92 30.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.491 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 23.8 m -119.23 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -147.32 110.98 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' HD13 ' A' ' 21' ' ' ILE . 20.9 m -88.3 155.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.477 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -130.01 164.06 43.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.6 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 14.2 tp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.426 ' HE3' ' C ' ' A' ' 17' ' ' GLU . 87.6 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' N ' HD11 ' A' ' 19' ' ' ILE . 33.8 t -72.57 111.36 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' CYS . 36.8 mtmt -37.41 -50.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -63.62 -59.19 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -86.53 90.6 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.35 -46.13 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.73 83.35 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HE3' ' A' ' 10' ' ' MET . 22.1 tp10 -174.57 113.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.59 121.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.459 HD11 ' N ' ' A' ' 11' ' ' CYS . 44.8 mm -34.19 113.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -88.39 -42.61 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 24.7 pt -134.96 174.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 33.4 t80 -125.41 132.88 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 11.7 t -82.48 152.26 26.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 24' ' ' LEU . 3.3 mp -110.11 -58.59 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 m -36.59 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 17.5 p -69.91 -19.24 63.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 69.44 53.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.61 130.01 13.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 99.27 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ILE . 4.2 t -123.45 151.27 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.68 167.38 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.472 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 3.1 m -64.23 -47.66 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.471 ' O ' ' C ' ' A' ' 37' ' ' PHE . 24.1 mmt -37.98 -37.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.473 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 56.4 m -74.31 -46.82 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HD3' ' CG1' ' A' ' 45' ' ' VAL . 12.1 tptp -62.52 -52.74 62.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG21 ' CD2' ' A' ' 37' ' ' PHE . 34.2 m -78.91 -34.92 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD2' HG21 ' A' ' 36' ' ' VAL . 6.7 m-85 -132.28 63.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.48 177.96 42.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 40' ' ' HIS . 2.8 pp -61.43 -22.99 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.164 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.501 ' CD2' HD12 ' A' ' 39' ' ' ILE . 91.7 m-70 -74.13 68.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -101.62 -49.03 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.5 33.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.525 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 30.2 m -115.84 -174.22 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -135.34 114.88 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' ' HD3' ' A' ' 35' ' ' LYS . 27.7 m -104.64 146.32 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -138.5 168.96 13.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.5 Cg_endo -69.78 106.29 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.658 2.238 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.0 mm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.27 142.58 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -49.68 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.28 -56.3 23.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -66.07 -173.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -135.63 101.1 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 64.08 55.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -126.45 109.5 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -45.29 143.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 21' ' ' ILE . 45.1 mm -77.16 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -92.41 -39.02 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.494 ' CD1' HG21 ' A' ' 45' ' ' VAL . 11.1 pt -135.06 175.27 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE1' HD12 ' A' ' 24' ' ' LEU . 19.7 t80 -122.83 128.3 50.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.9 t -82.31 149.43 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -107.58 -60.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 66.4 m -31.45 -67.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 8.8 p -79.32 -14.93 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.5 mt-10 64.94 53.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -144.75 127.61 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 111.112 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.05 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -104.98 153.33 21.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 p -53.83 -176.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -97.58 -36.69 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.5 mmt -50.52 -30.15 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 55.9 m -79.52 -40.31 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 12.6 tptp -64.83 -49.25 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG22 ' CE2' ' A' ' 37' ' ' PHE . 30.9 m -81.36 -33.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE2' HG22 ' A' ' 36' ' ' VAL . 8.9 m-85 -134.85 61.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -167.65 -175.03 37.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 40' ' ' HIS . 2.8 pp -60.1 -27.53 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.45 ' CD2' HD13 ' A' ' 39' ' ' ILE . 91.2 m-70 -70.24 67.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -101.65 -49.37 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 33.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.9 m -118.87 178.02 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.79 104.9 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' A' ' 21' ' ' ILE . 30.7 m -87.67 156.4 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.34 160.57 54.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.7 Cg_endo -69.76 105.69 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 34.8 mtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' N ' HD11 ' A' ' 19' ' ' ILE . 12.3 t -75.94 107.79 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -46.17 -47.06 17.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -50.58 -47.29 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.454 ' CE1' ' SG ' ' A' ' 31' ' ' CYS . 45.3 m80 -92.32 155.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.12 -59.57 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.404 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 5.7 m-20 -122.0 79.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 13.7 mp0 -153.34 105.42 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.09 152.3 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.451 HD11 ' N ' ' A' ' 11' ' ' CYS . 35.0 mm -71.89 114.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -91.55 -39.11 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.0 pt -130.71 175.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 24' ' ' LEU . 15.7 t80 -128.58 137.82 51.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.56 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.4 t -86.35 148.86 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 22' ' ' TYR . 1.1 mp -107.27 -62.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -30.61 -66.8 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.424 ' SG ' ' CG2' ' A' ' 28' ' ' VAL . 14.2 p -81.23 -13.95 58.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mm-40 64.21 53.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.424 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 4.4 m -139.49 127.21 13.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 89.38 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -115.5 156.59 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 13.7 p -61.9 175.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.3 t -80.36 -37.97 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -40.18 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.7 m -72.9 -27.98 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HD3' ' CG1' ' A' ' 45' ' ' VAL . 2.0 tptm -77.34 -44.98 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' CD2' ' A' ' 37' ' ' PHE . 35.7 m -82.25 -38.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.542 ' CD2' HG22 ' A' ' 36' ' ' VAL . 26.9 m-85 -104.02 -57.0 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.07 177.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -78.95 8.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -88.01 29.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -76.26 -41.98 47.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -19.77 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.505 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -70.99 -177.5 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -129.83 105.32 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG1' ' HD3' ' A' ' 35' ' ' LYS . 35.3 m -88.41 151.18 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . . . -134.06 160.1 69.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 46' ' ' ALA . 53.3 Cg_endo -69.73 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' PRO . 13.0 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.468 ' CE ' ' O ' ' A' ' 15' ' ' GLU . 13.6 ptm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.499 ' N ' HD12 ' A' ' 19' ' ' ILE . 10.3 t -80.86 97.93 7.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -49.26 -44.58 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -46.32 -45.39 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 33' ' ' MET . 64.0 m80 -97.21 179.36 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' O ' ' CE ' ' A' ' 10' ' ' MET . 25.5 mt-10 -106.2 -66.77 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 16' ' ' ASP . 6.2 p-10 -115.64 84.19 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -128.47 -13.67 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 19' ' ' ILE . 2.0 mptm? 34.32 47.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.499 HD12 ' N ' ' A' ' 11' ' ' CYS . 33.6 mm 31.31 54.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.483 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -30.51 -48.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 HD12 ' CB ' ' A' ' 45' ' ' VAL . 12.3 pt -127.06 174.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -125.94 137.8 53.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.585 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.5 t -81.2 142.56 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.1 mp -100.29 -63.02 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.9 m -29.39 -76.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 10.3 p -68.78 -17.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' LEU . 29.6 mt-10 67.83 53.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.7 m -142.8 130.34 11.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 101.45 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.0 t -129.91 152.84 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.3 p -60.14 176.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.466 ' CB ' HD11 ' A' ' 21' ' ' ILE . 3.4 t -88.34 -28.02 21.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.562 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 7.1 mmt -58.16 -32.47 68.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -80.82 -21.27 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HE2' ' CG2' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -86.62 -54.54 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG23 ' CE2' ' A' ' 37' ' ' PHE . 34.6 m -83.61 -24.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 36' ' ' VAL . 10.4 m-85 -134.86 49.8 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.01 -143.72 3.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.6 pp -95.11 -32.46 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.477 ' N ' HD12 ' A' ' 39' ' ' ILE . 88.7 m-70 -65.77 71.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' ILE . 23.3 mmmt -101.29 -39.89 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 33.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.511 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 34.1 m -120.77 178.86 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 43' ' ' CYS . 11.2 mm-40 -132.32 112.84 12.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.476 ' CB ' HD12 ' A' ' 21' ' ' ILE . 26.0 m -91.44 156.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.26 162.61 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 48' ' ' LEU . 54.0 Cg_endo -69.77 108.43 2.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.354 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.2 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' N ' HD13 ' A' ' 19' ' ' ILE . 11.7 t -72.79 112.46 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -38.07 -61.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.71 -48.54 63.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -114.34 83.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -66.06 -41.29 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.406 ' O ' ' CE ' ' A' ' 18' ' ' LYS . 5.2 m-20 -60.72 -47.11 87.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.84 153.86 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -93.4 173.54 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.436 HD13 ' N ' ' A' ' 11' ' ' CYS . 49.8 mm -87.88 106.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -84.7 -43.76 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 17.8 pt -118.97 174.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.503 ' CE2' HD13 ' A' ' 24' ' ' LEU . 76.2 t80 -133.94 126.54 30.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 17.7 t -80.65 138.9 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.503 HD13 ' CE2' ' A' ' 22' ' ' TYR . 2.4 mm? -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.1 m -38.9 -61.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 7.9 p -89.81 -9.82 47.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 64.04 53.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.44 131.25 13.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 96.25 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -117.28 165.52 13.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.2 -175.21 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 22.9 m -82.87 -44.41 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -45.51 -38.01 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 66.4 m -75.51 -39.11 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HG3' ' CG2' ' A' ' 45' ' ' VAL . 8.3 tmtt? -65.1 -54.64 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 37' ' ' PHE . 27.1 m -81.8 -35.94 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 36' ' ' VAL . 4.7 m-85 -124.99 60.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -169.64 179.75 41.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 40' ' ' HIS . 2.6 pp -60.65 -24.37 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.469 ' CD2' HD12 ' A' ' 39' ' ' ILE . 89.8 m-70 -72.14 66.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -101.02 -49.83 4.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.98 34.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 25.1 m -121.88 178.52 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.88 116.49 17.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 12.6 m -102.48 138.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -132.94 170.4 11.5 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.502 ' HD2' ' CB ' ' A' ' 46' ' ' ALA . 54.4 Cg_endo -69.76 110.69 2.62 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 47' ' ' PRO . 3.8 mm? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.1 mtp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.95 105.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -47.23 -46.77 24.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 30.1 mt-10 -46.22 -52.55 12.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -92.4 162.25 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.68 -56.27 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.86 80.77 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -123.45 118.25 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -75.41 99.67 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 49.2 mm -33.6 110.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -93.54 -46.26 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 HD13 ' CG1' ' A' ' 45' ' ' VAL . 29.4 pt -124.46 174.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE1' HD11 ' A' ' 24' ' ' LEU . 4.4 t80 -126.51 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.536 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.7 t -83.73 145.8 28.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD11 ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -103.44 -61.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.4 m -29.67 -66.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 6.8 p -81.56 -16.65 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 24' ' ' LEU . 25.0 mt-10 67.37 54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.6 m -141.28 127.49 11.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.24 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ILE . 12.7 t -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -62.73 -177.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.464 ' CB ' HD12 ' A' ' 21' ' ' ILE . 21.0 t -93.04 -32.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -33.26 29.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 69.1 m -79.37 -30.63 42.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.5 tmtt? -75.4 -50.82 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 37' ' ' PHE . 35.4 m -81.42 -31.58 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 36' ' ' VAL . 5.0 m-85 -133.48 58.1 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -166.49 178.64 40.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 HD11 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -53.56 -31.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.466 ' N ' HD11 ' A' ' 39' ' ' ILE . 92.3 m-70 -68.8 69.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -100.93 -50.19 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.83 33.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.497 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 22.5 m -118.51 179.87 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -141.82 109.41 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG1' HD13 ' A' ' 21' ' ' ILE . 14.4 m -87.43 159.97 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . . . -142.52 158.77 59.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.514 ' O ' ' C ' ' A' ' 48' ' ' LEU . 54.2 Cg_endo -69.75 103.75 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.4 mm? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.7 mtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' N ' HD13 ' A' ' 19' ' ' ILE . 45.0 t -46.81 156.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.9 -44.13 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -55.64 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -86.89 163.49 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 12.5 pt-20 -126.54 -42.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 m-20 -74.08 -47.79 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.73 143.61 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -95.79 172.62 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.448 HD13 ' N ' ' A' ' 11' ' ' CYS . 47.4 mm -76.07 117.41 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -95.41 -41.05 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CD1' ' CG2' ' A' ' 45' ' ' VAL . 44.7 pt -134.23 174.32 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 4.3 t80 -123.94 133.86 53.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.4 t -81.88 142.83 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -98.93 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -32.56 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 10.4 p -73.15 -11.89 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 mt-10 61.22 54.65 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 m -140.13 127.95 12.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 92.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.6 t -119.01 155.28 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.7 p -55.27 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.428 ' HB3' ' CE ' ' A' ' 33' ' ' MET . 5.2 t -100.23 -35.53 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.467 ' N ' ' HE2' ' A' ' 33' ' ' MET . 25.7 mmt -51.33 -31.63 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLY . 48.1 m -75.48 -41.03 56.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' CD ' HG11 ' A' ' 36' ' ' VAL . 11.6 tmtt? -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG23 ' CD2' ' A' ' 37' ' ' PHE . 33.4 m -80.69 -33.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CD2' HG23 ' A' ' 36' ' ' VAL . 9.1 m-85 -135.03 62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -165.3 -163.94 19.66 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -84.06 9.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -107.05 54.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -93.56 -44.2 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.14 32.59 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.542 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 31.1 m -121.57 -175.94 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -136.52 100.92 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 35.7 m -92.34 148.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' A' ' 48' ' ' LEU . . . -113.91 168.87 7.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.556 0.693 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 16.67 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 46' ' ' ALA . 23.9 tp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.27 144.28 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.01 22.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.46 -36.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.444 ' CB ' ' HB2' ' A' ' 17' ' ' GLU . 63.4 m80 -108.69 174.92 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 16' ' ' ASP . 3.0 pp20? -116.21 -48.42 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.445 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 14.2 m-20 -93.61 -33.31 13.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB2' ' CB ' ' A' ' 14' ' ' HIS . 31.1 mm-40 -65.17 105.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -75.01 165.9 24.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mm -66.92 127.8 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -113.86 -45.3 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 43.8 pt -119.66 172.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 31.6 t80 -124.43 133.05 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.551 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.1 t -85.14 149.36 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -105.02 -61.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.0 m -33.62 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 10.8 p -73.68 -14.24 61.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 63.24 54.23 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.56 131.51 13.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 81.87 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -108.32 153.53 23.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -63.21 179.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.484 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 4.9 t -84.04 -41.01 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -39.59 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.467 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 52.5 m -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HD2' ' C ' ' A' ' 35' ' ' LYS . 1.4 tmmt? -77.61 -49.2 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.433 HG21 ' CD2' ' A' ' 37' ' ' PHE . 20.7 m -76.58 -39.55 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.433 ' CD2' HG21 ' A' ' 36' ' ' VAL . 26.6 m-85 -104.17 -56.96 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -47.49 178.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.3 1.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.354 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.86 52.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -91.89 -41.63 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.8 32.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.7 m -120.72 -175.11 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -138.84 107.5 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 m -97.72 146.48 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.88 165.35 19.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.8 Cg_endo -69.76 91.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 9.5 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 11' ' ' CYS . 4.1 ppp? . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.832 0.348 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.473 ' N ' HD13 ' A' ' 19' ' ' ILE . 11.6 t -51.63 98.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 14.7 pttm -45.16 -37.82 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 8.7 tp10 -52.79 -44.47 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 17' ' ' GLU . 32.8 m80 -99.49 155.58 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -100.43 -49.38 4.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -111.76 43.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HB3' ' CB ' ' A' ' 14' ' ' HIS . 10.1 tp10 -133.97 91.72 2.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -64.56 139.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.473 HD13 ' N ' ' A' ' 11' ' ' CYS . 27.5 mm -40.14 112.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -95.86 -43.05 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.439 HD11 ' CB ' ' A' ' 45' ' ' VAL . 32.5 pt -127.6 175.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' CE1' HD12 ' A' ' 24' ' ' LEU . 13.2 t80 -132.06 130.07 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.3 t -81.87 146.09 30.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -104.79 -61.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.2 m -30.62 -67.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 11.8 p -79.85 -12.95 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 45.3 mt-10 63.46 53.79 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.91 128.78 11.31 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 101.55 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -126.33 150.24 48.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 14.3 p -63.17 178.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m -82.85 -34.09 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -54.91 -35.51 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.98 -23.7 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' CD ' HG23 ' A' ' 45' ' ' VAL . 13.4 ttpt -83.51 -41.29 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.549 HG23 ' CD2' ' A' ' 37' ' ' PHE . 19.2 m -97.72 -36.39 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CD2' HG23 ' A' ' 36' ' ' VAL . 20.7 m-85 -116.01 41.45 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 -123.61 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -133.82 7.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.16 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -101.08 54.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -95.6 -40.0 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.33 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m -70.07 -174.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -136.91 107.46 6.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 ' CD ' ' A' ' 35' ' ' LYS . 34.2 m -86.96 153.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.81 164.63 41.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.3 Cg_endo -69.75 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 47' ' ' PRO . 14.5 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -131.05 -48.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -87.66 171.78 10.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.59 168.95 33.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -80.15 142.47 34.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.837 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -146.62 133.09 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.95 -173.02 34.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -85.62 144.65 40.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 128.6 16.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.494 ' HE2' ' CE ' ' A' ' 18' ' ' LYS . 56.7 mtp -103.74 141.31 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.482 ' N ' HD11 ' A' ' 19' ' ' ILE . 12.6 t -48.42 133.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -64.37 -46.66 82.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.13 -56.69 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -96.49 94.55 7.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -49.52 -42.31 43.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 2.8 p30 -110.75 80.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -158.19 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.494 ' CE ' ' HE2' ' A' ' 10' ' ' MET . 0.9 OUTLIER -63.23 118.6 8.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 11' ' ' CYS . 47.5 mm -51.05 131.73 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -106.09 -46.29 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -119.82 173.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 22.7 t80 -128.35 129.57 46.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.519 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.9 t -80.87 151.15 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -108.26 -61.03 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LEU . 51.5 m -33.05 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' SG ' HG22 ' A' ' 28' ' ' VAL . 11.8 p -75.3 -21.21 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 70.77 53.48 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.4 m -140.33 129.07 13.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 88.54 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -111.32 163.35 14.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -68.62 -176.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 1.3 t -92.91 -32.87 14.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -30.52 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.4 m -80.04 -21.44 43.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 13.6 tmtt? -87.71 -37.18 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.557 HG22 ' CE2' ' A' ' 37' ' ' PHE . 15.2 m -96.55 -28.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CE2' HG22 ' A' ' 36' ' ' VAL . 5.6 m-85 -128.71 43.03 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 -150.4 5.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.16 -17.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.363 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -74.7 58.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -98.74 -46.63 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.42 63.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 37.3 m -65.59 -178.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -131.94 101.57 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.24 149.59 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -128.66 166.04 27.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.568 0.699 . . . . 0.0 111.091 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' GLN . 54.0 Cg_endo -69.76 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 19.2 tp -36.56 -32.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' PRO . 5.4 tt0 -38.81 -57.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -124.92 -47.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 15.1 t 62.93 54.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.95 159.53 24.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -44.79 150.67 0.34 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.73 132.31 5.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -76.42 145.76 39.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -128.48 42.62 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.2 p -116.72 106.02 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -119.12 -47.61 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 t -74.18 125.38 28.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 108.36 114.18 3.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 154.68 67.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.6 p -100.59 128.21 46.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.9 t -97.91 159.93 14.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.799 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 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 -0.34 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -128.28 92.17 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -145.4 121.77 10.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.19 -42.22 0.34 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -76.52 113.63 14.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -108.73 123.08 48.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.95 -149.12 4.92 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.442 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -60.72 152.28 68.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 152.98 69.32 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 ptm -113.11 171.96 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -55.2 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -48.28 -45.98 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -95.13 151.76 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 8.0 pt-20 -97.08 -38.66 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 4.2 m-20 -105.02 -49.29 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.0 92.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -73.3 -178.73 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 30' ' ' THR . 32.0 mm -71.37 122.55 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -111.55 -37.45 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.457 HD13 ' CG1' ' A' ' 45' ' ' VAL . 32.8 pt -126.73 175.12 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.501 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 24.0 t80 -124.7 130.73 52.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.477 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.6 t -82.08 146.85 29.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -104.71 -61.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -31.71 -65.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 p -84.86 -14.71 47.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 64.53 52.02 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 2.3 m -136.93 124.29 14.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.69 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.48 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 12.3 t -116.47 157.42 25.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 p -57.04 171.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -87.1 8.01 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' PHE . 26.2 mmt -96.54 -38.67 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.461 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 61.6 m -68.53 -34.68 76.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -62.09 -62.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.579 HG21 ' CD2' ' A' ' 37' ' ' PHE . 35.3 m -77.37 -34.04 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CD2' HG21 ' A' ' 36' ' ' VAL . 6.8 m-85 -125.58 62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -174.76 172.96 45.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 40' ' ' HIS . 2.7 pp -50.71 -27.28 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.449 ' CD2' HD11 ' A' ' 39' ' ' ILE . 92.4 m-70 -72.64 66.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -100.7 -47.02 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.31 34.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 35.2 m -119.83 176.35 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -136.81 109.16 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.457 ' CG1' HD13 ' A' ' 21' ' ' ILE . 27.0 m -87.72 155.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -124.42 169.27 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 111.089 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.74 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 11.2 tp -32.62 -51.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -38.01 -59.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 t -131.51 90.32 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.37 105.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' GLN . 8.3 t80 -169.93 105.12 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' PHE . 13.8 pt20 36.59 42.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.51 -158.91 7.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -83.06 153.05 25.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -77.31 153.83 33.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 t -124.85 105.38 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -151.67 168.91 23.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -99.58 -56.66 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.3 175.18 15.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.9 p -82.35 154.13 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -124.17 175.95 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.521 179.982 . . . . . . . . 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 1.451 -0.308 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -124.37 87.32 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -171.07 152.41 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.57 93.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -95.27 -47.92 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 m 56.65 44.53 23.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.74 131.8 5.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.477 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 m-70 -71.66 -60.67 2.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.57 0.7 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 8' ' ' HIS . 54.3 Cg_endo -69.74 134.08 27.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.384 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.434 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 61.1 mmm -152.82 170.35 20.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.91 135.67 57.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -51.8 -41.43 61.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.41 -48.94 15.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -104.54 121.58 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -91.22 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.27 -45.17 9.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.61 118.07 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.4 mmmm -68.35 148.38 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.21 121.08 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -94.47 -46.32 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 28.4 pt -125.02 175.08 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 28.4 t80 -125.73 137.42 53.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.8 t -88.85 147.63 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' THR . 1.6 mp -104.05 -62.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 48.9 m -32.62 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.461 ' SG ' ' CG2' ' A' ' 28' ' ' VAL . 22.8 p -73.61 -13.9 61.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.0 52.71 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 3.8 m -138.64 128.1 14.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.438 ' HG1' ' N ' ' A' ' 31' ' ' CYS . 7.8 t -121.03 157.85 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' N ' ' HG1' ' A' ' 30' ' ' THR . 18.2 p -61.98 172.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.483 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 17.0 p -91.7 7.35 42.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 mmt -93.99 -33.95 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 38' ' ' GLY . 57.9 m -71.89 -43.83 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -54.56 -58.15 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG21 ' CD2' ' A' ' 37' ' ' PHE . 27.2 m -77.56 -37.86 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 36' ' ' VAL . 6.4 m-85 -127.06 67.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -168.96 -139.32 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.8 -24.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.12 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -69.33 69.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -101.18 -49.5 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.91 34.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.505 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 29.7 m -120.53 -174.91 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -138.51 106.95 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.5 m -89.64 149.61 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.53 162.15 52.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.8 Cg_endo -69.75 109.96 2.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 49' ' ' GLN . 4.2 mm? -36.34 -40.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.468 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -32.6 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 51' ' ' VAL . 22.7 p -134.98 30.16 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 50' ' ' SER . 16.8 t 33.02 53.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -77.28 143.33 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -140.71 111.29 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -145.33 48.45 0.7 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' GLY . 10.2 pt20 35.5 45.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 -20.93 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 58' ' ' GLU . 25.1 m -74.55 153.58 38.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 57' ' ' THR . 9.6 tp10 -37.22 112.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.9 p -80.84 42.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.58 105.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 86.9 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -64.45 139.8 58.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -89.63 173.92 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.505 -179.983 . . . . . . . . 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 -0.35 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -136.48 110.4 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -157.44 154.87 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.61 52.72 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -69.16 165.32 20.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -57.57 -61.21 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.22 131.27 10.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -61.26 160.83 20.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.707 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 117.84 5.33 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.742 2.295 . . . . 0.0 112.33 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.444 ' HE2' ' N ' ' A' ' 17' ' ' GLU . 77.6 mtp -94.09 157.06 16.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.0 t -51.13 128.85 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -59.54 -46.16 89.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.18 -53.61 33.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -87.95 165.29 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.54 -44.67 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -118.37 47.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' N ' ' HE2' ' A' ' 10' ' ' MET . 26.8 tp10 -129.45 98.6 4.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -58.53 157.63 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.2 mm -70.23 128.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.7 -46.22 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 pt -122.1 174.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -127.53 131.22 50.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.1 t -84.96 141.5 30.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 24' ' ' LEU . 1.2 mp -97.32 -64.17 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.6 m -29.9 -72.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' SG ' ' CG2' ' A' ' 28' ' ' VAL . 18.1 p -75.91 -15.91 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.5 mt-10 64.18 54.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.434 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 5.7 m -138.51 125.12 12.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 91.74 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -112.16 165.06 12.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -64.14 173.22 2.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 p -96.28 8.0 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.2 mmt -96.24 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -76.48 -37.89 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -58.98 -60.23 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.572 HG23 ' CD2' ' A' ' 37' ' ' PHE . 26.9 m -76.17 -35.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CD2' HG23 ' A' ' 36' ' ' VAL . 3.8 m-85 -132.09 71.5 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.09 -116.75 0.38 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.498 HD12 ' CD2' ' A' ' 40' ' ' HIS . 2.7 pp -128.17 -29.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.498 ' CD2' HD12 ' A' ' 39' ' ' ILE . 95.8 m-70 -69.35 69.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -99.65 -44.66 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.17 32.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -120.47 178.35 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 16.9 mm-40 -130.37 109.15 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -94.66 145.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -123.53 168.48 12.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.102 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' VAL . 53.7 Cg_endo -69.78 91.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 19.0 tp -39.33 -39.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -44.3 -46.58 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.2 p -126.33 -48.37 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' PRO . 63.6 t 66.86 54.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -143.14 148.8 37.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -39.06 126.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.93 -102.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -39.57 148.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -126.47 139.09 53.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.1 p -108.93 43.8 1.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 64.39 41.45 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t -47.61 -50.13 25.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.96 107.97 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.85 37.82 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -100.76 157.6 16.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m 43.04 42.13 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.489 -179.992 . . . . . . . . 0 0 . 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 1.451 -0.334 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -120.98 42.28 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -125.6 161.4 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.05 -123.93 0.88 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 p -124.0 162.08 24.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.833 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -93.74 94.62 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.9 -160.4 28.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -90.18 152.49 46.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.39 21.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.494 ' HE3' ' CE ' ' A' ' 18' ' ' LYS . 40.8 mtp -121.34 172.59 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.426 ' N ' HD13 ' A' ' 19' ' ' ILE . 51.9 t -70.49 131.58 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -48.44 -40.8 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -85.0 -50.16 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -99.0 94.15 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -88.79 11.95 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.66 -54.99 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.29 139.04 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.494 ' CE ' ' HE3' ' A' ' 10' ' ' MET . 0.1 OUTLIER -65.68 165.17 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.433 HD13 ' C ' ' A' ' 10' ' ' MET . 29.8 mm -69.45 110.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -77.42 -50.9 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.478 HD13 ' CG1' ' A' ' 45' ' ' VAL . 27.9 pt -132.76 175.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CE1' HD12 ' A' ' 24' ' ' LEU . 7.4 t80 -121.65 134.08 54.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.1 t -83.67 141.71 31.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -98.31 -58.17 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 89.5 m -35.55 -67.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.532 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 17.7 p -83.47 0.69 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 13.1 pt-20 47.49 54.85 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 3.6 m -136.43 125.02 15.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.89 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -112.07 153.28 27.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.7 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -96.04 -28.1 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -36.98 70.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.518 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 63.4 m -71.45 -22.21 61.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.3 tptp -86.76 -55.68 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.545 HG21 ' CD2' ' A' ' 37' ' ' PHE . 27.5 m -60.77 -30.48 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CD2' HG21 ' A' ' 36' ' ' VAL . 9.1 m-85 -125.98 -58.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -39.33 164.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -56.15 -12.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 80.4 m-70 -74.91 45.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' ILE . 8.3 ptmt -90.94 -42.19 10.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -25.36 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 50.0 m -65.04 -177.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -134.69 101.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 21' ' ' ILE . 19.7 m -87.56 154.89 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.488 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -133.05 169.64 13.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 49' ' ' GLN . 54.3 Cg_endo -69.76 95.06 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 22' ' ' TYR . 9.7 tp -31.96 -36.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 47' ' ' PRO . 36.7 tp60 -68.11 88.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.968 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.2 m 61.62 54.92 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.43 HG12 ' C ' ' A' ' 47' ' ' PRO . 17.2 m -57.9 98.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -87.16 -55.8 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -159.02 154.53 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -141.07 -85.16 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 54' ' ' GLY . 3.2 mp0 36.62 41.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -170.76 106.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.8 m -99.64 -54.86 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.62 171.37 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.3 t -95.22 -53.65 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.89 159.11 23.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.67 14.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t -85.94 165.19 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -84.33 -41.69 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.499 -179.996 . . . . . . . . 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 -0.307 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -79.46 45.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -80.05 128.63 33.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.67 -113.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -51.44 113.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 m -89.9 -59.41 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.25 84.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -74.93 153.74 86.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' MET . 54.0 Cg_endo -69.75 -172.69 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' PRO . 13.8 mtp -36.82 155.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' N ' HD13 ' A' ' 19' ' ' ILE . 16.2 t -64.75 125.76 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -43.25 -62.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.41 ' NE2' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -57.87 -173.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 8.4 mt-10 -121.59 90.59 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.472 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 3.6 p30 50.12 43.73 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 11.0 mm-40 -100.63 98.49 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLU . 29.1 mttp -32.84 115.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 11' ' ' CYS . 41.6 mm -39.94 132.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.83 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -114.77 175.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 24' ' ' LEU . 18.4 t80 -124.11 129.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.4 t -79.73 151.35 30.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 22' ' ' TYR . 1.9 mp -109.87 -60.66 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.4 m -32.52 -65.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 28' ' ' VAL . 12.7 p -81.71 -13.91 57.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 67.8 mm-40 64.84 52.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.437 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 4.6 m -139.84 129.78 13.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 88.18 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.389 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 t -115.1 149.68 37.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.41 ' SG ' ' NE2' ' A' ' 14' ' ' HIS . 24.2 p -52.77 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.482 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 6.2 t -96.25 -40.26 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -52.36 -42.6 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -68.06 -9.94 49.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' C ' ' CD ' ' A' ' 35' ' ' LYS . 3.4 tmtt? -95.71 -45.12 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 37' ' ' PHE . 35.1 m -83.21 -23.52 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 36' ' ' VAL . 55.7 m-85 -121.51 -46.15 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 -165.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.78 -14.26 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -71.26 65.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -100.99 -39.26 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.28 31.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.477 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 44.5 m -122.55 176.12 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -133.78 104.87 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.44 ' CG2' HD11 ' A' ' 21' ' ' ILE . 28.9 m -89.07 156.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -130.03 168.22 17.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.8 Cg_endo -69.78 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 10.9 tp -31.7 -60.39 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 48' ' ' LEU . 14.4 pt20 -34.26 -48.41 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -133.41 85.31 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 95.4 t -89.77 60.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -84.58 -47.29 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -140.29 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.51 111.49 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -126.11 -44.85 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.75 155.63 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.7 p -54.86 141.45 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -50.6 -54.41 22.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.3 p -80.0 157.21 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.85 120.18 4.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 101.53 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.0 p -69.46 96.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 p -113.55 -32.81 6.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.468 -179.986 . . . . . . . . 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 -0.327 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -85.29 152.82 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -170.94 175.44 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.63 -107.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -54.24 125.73 20.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -122.87 158.7 29.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.73 -142.22 5.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -63.01 155.0 74.93 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.589 0.709 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 168.2 22.26 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.409 ' HE3' ' C ' ' A' ' 16' ' ' ASP . 21.6 mtp -118.09 160.46 21.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -65.31 116.68 6.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -38.14 -45.69 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 mt-10 -64.86 -58.31 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -102.83 104.66 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -88.57 2.32 53.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.409 ' C ' ' HE3' ' A' ' 10' ' ' MET . 5.5 m-20 -93.82 -51.83 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -89.32 139.89 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 164.81 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.39 118.24 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.475 HD13 ' CB ' ' A' ' 45' ' ' VAL . 27.9 pt -129.23 174.3 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CE2' HD11 ' A' ' 24' ' ' LEU . 37.4 t80 -125.64 132.76 52.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.5 t -87.6 138.17 31.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD11 ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -92.84 -58.16 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.445 ' HB ' ' SG ' ' A' ' 43' ' ' CYS . 94.9 m -34.97 -69.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 6.9 p -81.61 0.69 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 16.0 pt-20 47.01 55.02 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 26' ' ' CYS . 1.4 m -140.14 127.78 12.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -120.35 152.82 37.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -53.38 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -95.78 -24.49 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -38.62 87.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 67.8 m -72.88 -23.92 60.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HD3' ' CG1' ' A' ' 45' ' ' VAL . 2.5 tptm -83.25 -43.6 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.567 HG22 ' CE2' ' A' ' 37' ' ' PHE . 31.8 m -84.12 -27.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 36' ' ' VAL . 20.9 m-85 -117.24 -56.23 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' PHE . . . -48.94 -179.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.01 -3.93 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -82.11 36.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -82.51 -35.12 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -22.4 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.471 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 54.9 m -67.16 -175.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -141.99 105.01 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.475 ' CB ' HD13 ' A' ' 21' ' ' ILE . 25.5 m -87.84 158.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -129.49 169.27 13.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 46' ' ' ALA . 54.1 Cg_endo -69.7 88.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.374 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 47' ' ' PRO . 13.7 tp -32.92 -38.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' PRO . 94.7 mt-30 -79.88 105.21 11.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t 70.12 54.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.7 t -63.75 95.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -134.93 -64.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.03 120.63 23.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -102.57 56.39 0.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.481 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 54' ' ' GLY . 9.3 pt20 -34.53 136.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -42.9 118.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.4 m -110.91 -41.27 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 59' ' ' SER . 9.2 tm-20 -87.27 -65.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 58' ' ' GLU . 2.2 t -34.14 -40.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -45.26 126.08 7.28 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -23.78 30.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.622 2.215 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m 39.96 41.09 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.4 p -113.79 -59.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.487 -179.988 . . . . . . . . 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 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -140.19 155.72 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p -57.74 90.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 165.0 -81.9 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 4' ' ' GLY . 39.7 t -35.72 -59.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 110.893 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t 50.49 41.35 25.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.32 -175.95 40.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 52.3 t-80 -53.93 139.28 53.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 8' ' ' HIS . 53.5 Cg_endo -69.76 159.78 52.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.266 . . . . 0.0 112.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.429 ' HE1' ' N ' ' A' ' 17' ' ' GLU . 35.4 mmm -96.14 176.74 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.55 148.37 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -47.91 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -64.89 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.605 ' CE1' ' SG ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -58.39 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -134.97 95.33 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t0 69.75 47.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' LYS . 17.2 mt-10 -117.96 101.35 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' GLU . 32.4 mmtt -33.89 131.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 20' ' ' ASN . 47.7 mm -68.08 150.01 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' N ' HG21 ' A' ' 19' ' ' ILE . 6.6 m-20 -114.39 -45.26 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 HD12 ' CG2' ' A' ' 45' ' ' VAL . 38.5 pt -124.17 175.03 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 34.5 t80 -126.44 134.04 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 15.4 t -86.23 150.36 24.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -106.01 -60.34 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.3 m -33.88 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 9.1 p -69.72 -21.31 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' CYS . 25.2 mt-10 70.97 54.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.416 HG12 ' C ' ' A' ' 27' ' ' GLU . 1.1 m -144.35 130.72 10.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -109.74 147.53 33.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 13.7 p -53.86 175.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.4 t -86.47 -37.8 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -46.89 -40.3 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 68.3 m -72.17 -37.07 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' A' ' 45' ' ' VAL . 12.0 tptm -64.38 -53.48 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.581 HG22 ' CD2' ' A' ' 37' ' ' PHE . 30.0 m -81.64 -34.02 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CD2' HG22 ' A' ' 36' ' ' VAL . 4.3 m-85 -129.41 60.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.37 -172.27 35.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -23.02 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 82.1 m-70 -73.13 67.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -102.19 -51.36 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.64 34.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 28.1 m -118.96 -179.79 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.15 104.81 5.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 21' ' ' ILE . 35.6 m -92.25 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.11 160.46 64.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.532 0.682 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.6 Cg_endo -69.75 103.63 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 1.6 mp -33.03 -53.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -42.32 -53.91 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -122.9 83.58 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 64.2 t -101.02 -47.05 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' VAL . 1.3 t80 -34.62 -49.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' CD ' ' N ' ' A' ' 54' ' ' GLY . 4.9 pp0? -83.82 -46.31 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' ' CD ' ' A' ' 53' ' ' GLN . . . -50.75 120.92 9.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 28.6 pt20 -109.07 -43.8 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 48.4 mttp -128.2 178.38 6.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 58' ' ' GLU . 8.5 t -110.38 -33.47 6.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' N ' HG22 ' A' ' 57' ' ' THR . 6.4 mm-40 -112.07 117.52 32.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.2 t -66.17 97.54 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.8 127.7 6.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 106.89 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.2 p -94.71 41.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -41.81 119.65 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.528 -179.996 . . . . . . . . 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 -0.31 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -124.82 126.16 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -163.66 115.28 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.27 161.49 23.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t 66.21 49.24 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.823 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -79.53 45.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.39 -117.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -85.15 141.66 37.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 179.41 3.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.7 ptm -127.0 148.32 50.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -44.61 108.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.3 ptpp? -57.47 -34.1 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 16.2 mm-40 -61.47 -44.86 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -106.97 104.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -34.61 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.47 -71.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -53.91 121.32 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -95.02 178.08 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.91 108.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -99.16 -38.31 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.7 pt -128.38 173.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.445 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 26.1 t80 -123.56 132.61 53.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.493 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.0 t -82.43 145.33 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -103.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 24' ' ' LEU . 49.8 m -30.15 -69.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' SG ' ' CG2' ' A' ' 28' ' ' VAL . 16.5 p -77.52 -19.17 56.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 40.0 mt-10 67.6 54.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.401 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 5.8 m -138.5 126.97 14.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 89.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' CYS . 10.1 t -114.91 153.74 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' THR . 14.8 p -50.33 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -94.14 -19.86 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 35' ' ' LYS . 28.9 mmt -67.38 -68.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.3 m -39.22 -25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' MET . 20.3 tptt -75.39 -61.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.596 HG22 ' CE2' ' A' ' 37' ' ' PHE . 3.4 m -72.86 -42.4 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' A' ' 36' ' ' VAL . 6.6 m-85 -125.89 69.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.94 -126.89 0.85 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.4 7.99 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -101.46 33.53 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -73.41 -37.94 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.24 33.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.114 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.493 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 48.7 m -127.46 -178.05 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -131.6 103.17 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -88.31 149.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.197 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -128.12 168.83 14.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 111.095 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 46' ' ' ALA . 53.2 Cg_endo -69.77 89.7 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 18.1 tp -39.25 -36.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -54.61 106.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.6 p 40.01 50.38 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.0 t -38.58 98.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -71.24 -65.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -127.76 -52.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.96 65.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.508 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -59.03 148.43 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.19 172.96 10.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 58' ' ' GLU . 8.0 t -114.6 -33.17 5.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.402 ' N ' HG22 ' A' ' 57' ' ' THR . 17.1 tt0 -144.75 168.63 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.9 p -73.22 -43.99 60.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.12 -171.45 52.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.443 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 t -39.54 -60.64 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.5 m -104.65 44.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.504 179.99 . . . . . . . . 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 1.451 -0.321 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -147.77 152.89 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -80.84 142.04 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.71 158.85 14.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -132.66 42.11 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -71.64 104.39 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.39 157.83 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.523 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -58.07 142.68 79.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.71 67.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.276 . . . . 0.0 112.365 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.426 ' HE3' ' C ' ' A' ' 17' ' ' GLU . 23.1 mtp -107.68 153.12 23.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.78 110.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -53.15 -52.4 58.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -42.69 -46.44 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -85.59 172.69 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -93.25 74.22 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' C ' ' HE3' ' A' ' 10' ' ' MET . 32.2 m-20 63.34 46.28 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HE3' ' A' ' 10' ' ' MET . 14.4 tp10 -92.56 122.77 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -46.91 131.7 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.92 134.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -104.5 -49.34 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.1 pt -125.69 174.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 30.7 t80 -124.08 138.11 54.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.3 t -91.39 146.96 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -103.28 -61.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.4 m -33.34 -70.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 p -77.48 -17.52 57.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 66.96 53.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.54 127.06 15.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 85.97 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -115.33 157.92 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 p -61.68 -176.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.9 t -92.69 -32.68 14.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -54.72 -33.35 60.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.6 -24.35 53.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -84.58 -40.23 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.575 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.6 m -94.18 -25.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.3 m-85 -131.21 42.31 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.87 -161.59 10.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.406 HD13 ' C ' ' A' ' 39' ' ' ILE . 2.7 pp -82.45 -15.93 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -75.48 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.28 -42.4 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.53 33.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.51 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.4 m -122.06 173.72 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -129.6 105.29 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -91.66 152.18 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -125.34 166.83 18.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 111.067 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.6 Cg_endo -69.77 87.42 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 15.4 tp -34.38 -45.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.87 96.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 t 62.9 54.96 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 57.4 t -53.25 95.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -133.45 -64.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -129.5 151.01 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.55 159.55 21.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -93.62 155.28 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.62 132.64 54.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.6 m -87.22 98.79 11.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -110.6 96.12 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -58.16 -44.41 87.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 62' ' ' SER . . . -170.14 -172.21 36.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 13.12 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 60' ' ' GLY . 14.6 m -54.72 -51.34 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -55.16 124.4 16.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.49 -179.998 . . . . . . . . 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 1.45 -0.381 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -111.8 -57.57 2.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -45.26 136.1 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.25 -111.81 0.95 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -105.99 -47.53 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.35 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -103.87 153.66 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.77 89.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -84.24 142.03 40.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 131.72 21.8 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.52 ' CE ' ' N ' ' A' ' 18' ' ' LYS . 15.6 mtp -137.58 149.72 46.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' N ' HD12 ' A' ' 19' ' ' ILE . 11.0 t -66.39 151.4 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -94.54 -48.72 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -48.01 -44.14 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -77.94 175.2 10.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -96.36 67.05 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.63 54.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' C ' ' HE1' ' A' ' 10' ' ' MET . 22.7 tp10 -106.29 123.47 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.52 ' N ' ' CE ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -50.5 157.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 11' ' ' CYS . 45.0 mm -91.43 103.88 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -69.2 -58.13 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.477 HD13 ' CG1' ' A' ' 45' ' ' VAL . 9.6 pt -112.89 166.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 39.0 t80 -117.42 136.45 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.3 t -86.69 137.76 32.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD22 ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -95.72 -55.87 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 96.3 m -36.06 -66.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 17.4 p -86.45 1.13 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 9.5 pt-20 46.33 54.93 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 26' ' ' CYS . 2.1 m -138.76 127.28 13.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -128.11 159.62 34.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -60.03 -174.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.439 ' HB3' ' CE ' ' A' ' 33' ' ' MET . 29.2 t -96.74 -39.29 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -50.05 -31.64 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' O ' ' HA3' ' A' ' 38' ' ' GLY . 56.8 m -79.22 -23.71 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -85.9 -43.46 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.577 HG23 ' CD2' ' A' ' 37' ' ' PHE . 18.5 m -85.07 -33.36 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.5 m-85 -133.77 48.41 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 34' ' ' CYS . . . -152.47 177.77 30.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.49 ' CD1' ' N ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -56.35 -16.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 111.111 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -82.17 66.21 7.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -101.55 -43.77 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.92 30.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.485 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 23.8 m -119.23 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -147.32 110.98 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' HD13 ' A' ' 21' ' ' ILE . 20.9 m -88.3 155.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.477 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -130.01 164.06 43.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.6 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 14.2 tp -33.24 -43.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.79 93.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 t 74.47 53.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 51.8 t -59.21 99.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -127.96 -58.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -88.93 127.2 35.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.79 60.24 4.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 55' ' ' GLN . 6.5 tp60 -66.39 125.48 25.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 3.8 mppt? -85.42 147.11 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -114.28 -16.45 12.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -121.1 128.6 52.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.98 155.54 40.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.66 -171.01 21.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -10.68 29.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.2 t 63.48 40.96 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.5 m -45.51 132.19 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.449 -179.98 . . . . . . . . 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 -0.327 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -84.46 131.33 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.358 . . . . 0.0 110.877 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p 39.98 42.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.36 98.66 0.94 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -92.74 98.68 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -80.68 -52.79 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.82 54.04 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -64.99 160.13 58.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 148.96 66.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.426 ' HE3' ' C ' ' A' ' 17' ' ' GLU . 87.6 mmm -132.35 153.9 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' N ' HD11 ' A' ' 19' ' ' ILE . 33.8 t -72.57 111.36 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' CYS . 36.8 mtmt -37.41 -50.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -63.62 -59.19 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -86.53 90.6 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.35 -46.13 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.73 83.35 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HE3' ' A' ' 10' ' ' MET . 22.1 tp10 -174.57 113.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.59 121.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.459 HD11 ' N ' ' A' ' 11' ' ' CYS . 44.8 mm -34.19 113.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -88.39 -42.61 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 24.7 pt -134.96 174.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 33.4 t80 -125.41 132.88 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 11.7 t -82.48 152.26 26.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 24' ' ' LEU . 3.3 mp -110.11 -58.59 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 m -36.59 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.5 p -69.91 -19.24 63.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 69.44 53.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.61 130.01 13.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 99.27 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ILE . 4.2 t -123.45 151.27 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.68 167.38 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.472 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 3.1 m -64.23 -47.66 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.471 ' O ' ' C ' ' A' ' 37' ' ' PHE . 24.1 mmt -37.98 -37.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 56.4 m -74.31 -46.82 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HD3' ' CG1' ' A' ' 45' ' ' VAL . 12.1 tptp -62.52 -52.74 62.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG21 ' CD2' ' A' ' 37' ' ' PHE . 34.2 m -78.91 -34.92 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD2' HG21 ' A' ' 36' ' ' VAL . 6.7 m-85 -132.28 63.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.48 177.96 42.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 40' ' ' HIS . 2.8 pp -61.43 -22.99 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.164 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.501 ' CD2' HD12 ' A' ' 39' ' ' ILE . 91.7 m-70 -74.13 68.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -101.62 -49.03 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.5 33.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.52 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 30.2 m -115.84 -174.22 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -135.34 114.88 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' ' HD3' ' A' ' 35' ' ' LYS . 27.7 m -104.64 146.32 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -138.5 168.96 13.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.5 Cg_endo -69.78 106.29 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.658 2.238 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.0 mm? -30.16 -47.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -54.61 -56.41 19.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' PRO . 5.8 t -107.94 88.82 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.65 104.84 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 45.2 t80 60.36 45.26 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -126.55 -44.63 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.9 -88.0 0.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -69.0 140.86 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' THR . 10.8 ttpt -142.14 146.29 35.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 58' ' ' GLU . 77.2 m -36.17 143.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' N ' HG23 ' A' ' 57' ' ' THR . 2.7 tp10 -95.11 -56.77 2.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.9 p -41.6 138.9 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.51 124.42 2.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.82 19.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.383 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -153.26 155.97 37.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.7 p -102.03 84.77 2.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.485 179.985 . . . . . . . . 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 -0.313 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -55.61 -49.66 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -75.3 121.05 21.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.58 163.33 13.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -102.22 82.56 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 p -171.0 153.45 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.9 172.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -88.02 134.68 34.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.72 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.02 49.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.73 2.287 . . . . 0.0 112.319 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 mtp -109.22 147.0 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.27 142.58 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -49.68 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.28 -56.3 23.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -66.07 -173.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -135.63 101.1 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 64.08 55.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -126.45 109.5 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -45.29 143.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 21' ' ' ILE . 45.1 mm -77.16 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -92.41 -39.02 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.494 ' CD1' HG21 ' A' ' 45' ' ' VAL . 11.1 pt -135.06 175.27 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE1' HD12 ' A' ' 24' ' ' LEU . 19.7 t80 -122.83 128.3 50.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.9 t -82.31 149.43 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -107.58 -60.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 66.4 m -31.45 -67.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.8 p -79.32 -14.93 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.5 mt-10 64.94 53.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -144.75 127.61 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 111.112 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.05 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -104.98 153.33 21.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 p -53.83 -176.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -97.58 -36.69 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.5 mmt -50.52 -30.15 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.5 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 55.9 m -79.52 -40.31 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 12.6 tptp -64.83 -49.25 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG22 ' CE2' ' A' ' 37' ' ' PHE . 30.9 m -81.36 -33.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE2' HG22 ' A' ' 36' ' ' VAL . 8.9 m-85 -134.85 61.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -167.65 -175.03 37.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 40' ' ' HIS . 2.8 pp -60.1 -27.53 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.45 ' CD2' HD13 ' A' ' 39' ' ' ILE . 91.2 m-70 -70.24 67.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -101.65 -49.37 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 33.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.9 m -118.87 178.02 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.79 104.9 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' A' ' 21' ' ' ILE . 30.7 m -87.67 156.4 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.34 160.57 54.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 49' ' ' GLN . 53.7 Cg_endo -69.76 105.69 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' GLN . 0.5 OUTLIER -36.11 -31.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 47' ' ' PRO . 4.3 mm100 -34.88 -54.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -124.49 -72.73 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.9 t 49.56 51.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -122.49 -47.74 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.22 171.64 13.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 57.12 76.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.8 134.89 38.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.93 135.14 18.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.8 m -147.57 149.34 32.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -40.81 118.23 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.0 t -124.57 148.91 47.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.407 ' HA2' ' HD2' ' A' ' 61' ' ' PRO . . . -123.27 104.02 0.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' HA2' ' A' ' 60' ' ' GLY . 53.7 Cg_endo -69.76 154.03 68.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -104.6 146.58 28.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -132.09 -62.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.465 -179.955 . . . . . . . . 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 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -48.96 -57.94 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -50.83 116.87 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.71 164.5 37.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -117.19 81.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.356 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -132.43 93.29 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.62 -128.0 23.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -134.2 152.06 77.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 179.37 3.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 34.8 mtp -119.39 163.85 16.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' N ' HD11 ' A' ' 19' ' ' ILE . 12.3 t -75.94 107.79 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -46.17 -47.06 17.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -50.58 -47.29 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -92.32 155.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.12 -59.57 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 5.7 m-20 -122.0 79.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 13.7 mp0 -153.34 105.42 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.09 152.3 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.451 HD11 ' N ' ' A' ' 11' ' ' CYS . 35.0 mm -71.89 114.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -91.55 -39.11 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.0 pt -130.71 175.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 24' ' ' LEU . 15.7 t80 -128.58 137.82 51.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.56 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.4 t -86.35 148.86 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 22' ' ' TYR . 1.1 mp -107.27 -62.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -30.61 -66.8 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.424 ' SG ' ' CG2' ' A' ' 28' ' ' VAL . 14.2 p -81.23 -13.95 58.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mm-40 64.21 53.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.424 ' CG2' ' SG ' ' A' ' 26' ' ' CYS . 4.4 m -139.49 127.21 13.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 89.38 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -115.5 156.59 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.7 p -61.9 175.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.3 t -80.36 -37.97 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -40.18 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.7 m -72.9 -27.98 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HD3' ' CG1' ' A' ' 45' ' ' VAL . 2.0 tptm -77.34 -44.98 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' CD2' ' A' ' 37' ' ' PHE . 35.7 m -82.25 -38.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.542 ' CD2' HG22 ' A' ' 36' ' ' VAL . 26.9 m-85 -104.02 -57.0 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.07 177.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -78.95 8.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -88.01 29.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -76.26 -41.98 47.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -19.77 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.505 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -70.99 -177.5 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -129.83 105.32 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG1' ' HD3' ' A' ' 35' ' ' LYS . 35.3 m -88.41 151.18 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . . . -134.06 160.1 69.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 46' ' ' ALA . 53.3 Cg_endo -69.73 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' PRO . 13.0 tp -35.53 -53.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' HA ' ' NE2' ' A' ' 49' ' ' GLN . 3.6 tp60 -63.86 94.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t 73.21 47.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.5 t -39.24 -49.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -54.93 129.1 36.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.41 43.88 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.29 -161.56 37.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -113.64 165.88 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -99.07 121.89 41.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 t -76.27 142.52 41.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -68.41 91.61 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.1 p -97.15 133.85 41.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.68 -178.4 38.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.4 60.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.9 p -128.81 141.33 51.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 t -90.54 98.19 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.496 -179.955 . . . . . . . . 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 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 p -83.6 110.4 18.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -101.8 115.66 31.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.77 36.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 m -99.43 46.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -90.26 -35.66 15.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.77 -166.52 12.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -68.51 151.75 97.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 119.25 6.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.468 ' CE ' ' O ' ' A' ' 15' ' ' GLU . 13.6 ptm -83.74 168.82 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.499 ' N ' HD12 ' A' ' 19' ' ' ILE . 10.3 t -80.86 97.93 7.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -49.26 -44.58 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -46.32 -45.39 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 33' ' ' MET . 64.0 m80 -97.21 179.36 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' O ' ' CE ' ' A' ' 10' ' ' MET . 25.5 mt-10 -106.2 -66.77 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 16' ' ' ASP . 6.2 p-10 -115.64 84.19 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -128.47 -13.67 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 19' ' ' ILE . 2.0 mptm? 34.32 47.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.499 HD12 ' N ' ' A' ' 11' ' ' CYS . 33.6 mm 31.31 54.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.483 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -30.51 -48.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 HD12 ' CB ' ' A' ' 45' ' ' VAL . 12.3 pt -127.06 174.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -125.94 137.8 53.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.585 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.5 t -81.2 142.56 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.1 mp -100.29 -63.02 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.9 m -29.39 -76.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.3 p -68.78 -17.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' LEU . 29.6 mt-10 67.83 53.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.7 m -142.8 130.34 11.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 101.45 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.0 t -129.91 152.84 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.3 p -60.14 176.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.466 ' CB ' HD11 ' A' ' 21' ' ' ILE . 3.4 t -88.34 -28.02 21.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.562 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 7.1 mmt -58.16 -32.47 68.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -80.82 -21.27 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HE2' ' CG2' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -86.62 -54.54 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG23 ' CE2' ' A' ' 37' ' ' PHE . 34.6 m -83.61 -24.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 36' ' ' VAL . 10.4 m-85 -134.86 49.8 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.01 -143.72 3.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.6 pp -95.11 -32.46 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.477 ' N ' HD12 ' A' ' 39' ' ' ILE . 88.7 m-70 -65.77 71.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' ILE . 23.3 mmmt -101.29 -39.89 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 33.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 34.1 m -120.77 178.86 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 43' ' ' CYS . 11.2 mm-40 -132.32 112.84 12.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.476 ' CB ' HD12 ' A' ' 21' ' ' ILE . 26.0 m -91.44 156.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.26 162.61 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 48' ' ' LEU . 54.0 Cg_endo -69.77 108.43 2.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.354 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.2 mm? -29.89 -50.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -83.8 128.19 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t 61.23 53.09 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.3 t -70.76 101.6 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.177 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -133.16 134.28 43.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -47.85 158.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.85 148.95 7.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 58.46 43.51 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -57.81 158.89 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.3 t -150.1 125.55 10.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -155.31 130.22 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 p -66.73 127.91 34.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.63 112.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.3 t -67.6 123.98 21.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.4 t -111.39 88.32 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.499 -179.957 . . . . . . . . 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 1.452 -0.286 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -116.97 -58.8 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -121.86 83.06 2.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.99 178.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -136.97 140.56 42.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.867 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -99.08 143.75 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.74 134.98 9.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -58.32 138.09 84.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 160.44 49.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mtp -103.42 162.74 12.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' N ' HD13 ' A' ' 19' ' ' ILE . 11.7 t -72.79 112.46 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -38.07 -61.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.71 -48.54 63.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -114.34 83.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -66.06 -41.29 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.406 ' O ' ' CE ' ' A' ' 18' ' ' LYS . 5.2 m-20 -60.72 -47.11 87.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.84 153.86 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -93.4 173.54 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.436 HD13 ' N ' ' A' ' 11' ' ' CYS . 49.8 mm -87.88 106.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -84.7 -43.76 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 17.8 pt -118.97 174.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.503 ' CE2' HD13 ' A' ' 24' ' ' LEU . 76.2 t80 -133.94 126.54 30.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 17.7 t -80.65 138.9 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.503 HD13 ' CE2' ' A' ' 22' ' ' TYR . 2.4 mm? -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.1 m -38.9 -61.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -89.81 -9.82 47.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 64.04 53.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.44 131.25 13.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 96.25 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -117.28 165.52 13.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.2 -175.21 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 22.9 m -82.87 -44.41 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -45.51 -38.01 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 66.4 m -75.51 -39.11 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HG3' ' CG2' ' A' ' 45' ' ' VAL . 8.3 tmtt? -65.1 -54.64 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 37' ' ' PHE . 27.1 m -81.8 -35.94 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 36' ' ' VAL . 4.7 m-85 -124.99 60.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -169.64 179.75 41.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 40' ' ' HIS . 2.6 pp -60.65 -24.37 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.469 ' CD2' HD12 ' A' ' 39' ' ' ILE . 89.8 m-70 -72.14 66.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -101.02 -49.83 4.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.98 34.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 25.1 m -121.88 178.52 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.88 116.49 17.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 12.6 m -102.48 138.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . . . -132.94 170.4 11.5 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 49' ' ' GLN . 54.4 Cg_endo -69.76 110.69 2.62 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 47' ' ' PRO . 3.8 mm? -31.68 -36.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' PRO . 27.1 tp60 -70.56 91.55 0.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.26 54.96 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.405 HG12 ' C ' ' A' ' 47' ' ' PRO . 19.5 m -56.83 96.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -100.74 140.74 34.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -72.5 175.31 6.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.36 46.7 0.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -136.48 158.77 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.959 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -111.22 40.05 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 t -87.94 -38.05 15.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -38.86 -52.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.7 t -175.0 105.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 49.12 -178.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.529 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.248 . . . . 0.0 112.36 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 t -42.16 120.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.1 t -46.88 -56.39 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.466 179.991 . . . . . . . . 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 1.452 -0.286 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -162.04 118.59 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -60.78 143.44 54.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.87 66.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -64.74 151.74 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.781 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -149.08 160.42 43.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.41 175.29 22.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -105.05 104.02 44.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.1 mtp -52.59 157.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.95 105.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -47.23 -46.77 24.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 30.1 mt-10 -46.22 -52.55 12.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -92.4 162.25 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.68 -56.27 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.86 80.77 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -123.45 118.25 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -75.41 99.67 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 49.2 mm -33.6 110.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -93.54 -46.26 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 HD13 ' CG1' ' A' ' 45' ' ' VAL . 29.4 pt -124.46 174.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE1' HD11 ' A' ' 24' ' ' LEU . 4.4 t80 -126.51 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.536 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.7 t -83.73 145.8 28.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD11 ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -103.44 -61.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.4 m -29.67 -66.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 p -81.56 -16.65 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 24' ' ' LEU . 25.0 mt-10 67.37 54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.6 m -141.28 127.49 11.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.24 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ILE . 12.7 t -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -62.73 -177.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.464 ' CB ' HD12 ' A' ' 21' ' ' ILE . 21.0 t -93.04 -32.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -33.26 29.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 69.1 m -79.37 -30.63 42.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.5 tmtt? -75.4 -50.82 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 37' ' ' PHE . 35.4 m -81.42 -31.58 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 36' ' ' VAL . 5.0 m-85 -133.48 58.1 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -166.49 178.64 40.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 HD11 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -53.56 -31.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.466 ' N ' HD11 ' A' ' 39' ' ' ILE . 92.3 m-70 -68.8 69.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -100.93 -50.19 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.83 33.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.493 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 22.5 m -118.51 179.87 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -141.82 109.41 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG1' HD13 ' A' ' 21' ' ' ILE . 14.4 m -87.43 159.97 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . . . -142.52 158.77 59.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.514 ' O ' ' C ' ' A' ' 48' ' ' LEU . 54.2 Cg_endo -69.75 103.75 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.4 mm? -27.89 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' PRO . 31.2 tt0 -53.33 -62.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.4 m -107.51 83.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' PHE . 92.9 t -105.65 -47.78 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' VAL . 34.6 m-85 -35.46 -46.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -121.27 92.92 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.32 179.98 15.95 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.81 150.16 48.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.91 142.31 36.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 t -117.21 39.88 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -105.07 92.34 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -124.61 155.71 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.75 -115.32 2.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.87 3.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.281 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 t -49.11 -44.42 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.5 m -47.77 -53.61 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.504 179.987 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -117.54 85.46 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -81.72 123.44 28.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.37 -50.37 2.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -41.05 -44.91 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 p -42.29 122.12 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.5 -134.81 8.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -138.36 154.3 73.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 137.99 36.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.369 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.7 mtp -71.77 164.38 26.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' N ' HD13 ' A' ' 19' ' ' ILE . 45.0 t -46.81 156.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.9 -44.13 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -55.64 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -86.89 163.49 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 12.5 pt-20 -126.54 -42.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 m-20 -74.08 -47.79 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.73 143.61 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -95.79 172.62 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.448 HD13 ' N ' ' A' ' 11' ' ' CYS . 47.4 mm -76.07 117.41 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -95.41 -41.05 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CD1' ' CG2' ' A' ' 45' ' ' VAL . 44.7 pt -134.23 174.32 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 4.3 t80 -123.94 133.86 53.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.4 t -81.88 142.83 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -98.93 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -32.56 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.4 p -73.15 -11.89 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 mt-10 61.22 54.65 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 m -140.13 127.95 12.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 92.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.6 t -119.01 155.28 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.7 p -55.27 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.428 ' HB3' ' CE ' ' A' ' 33' ' ' MET . 5.2 t -100.23 -35.53 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.467 ' N ' ' HE2' ' A' ' 33' ' ' MET . 25.7 mmt -51.33 -31.63 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLY . 48.1 m -75.48 -41.03 56.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' CD ' HG11 ' A' ' 36' ' ' VAL . 11.6 tmtt? -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG23 ' CD2' ' A' ' 37' ' ' PHE . 33.4 m -80.69 -33.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CD2' HG23 ' A' ' 36' ' ' VAL . 9.1 m-85 -135.03 62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -165.3 -163.94 19.66 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -84.06 9.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -107.05 54.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -93.56 -44.2 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.14 32.59 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.542 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 31.1 m -121.57 -175.94 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -136.52 100.92 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 35.7 m -92.34 148.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' A' ' 48' ' ' LEU . . . -113.91 168.87 7.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.556 0.693 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 16.67 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 46' ' ' ALA . 23.9 tp 41.73 54.97 3.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.488 ' O ' ' C ' ' A' ' 50' ' ' SER . 17.0 tt0 -140.58 112.87 7.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 49' ' ' GLN . 70.5 m 31.38 47.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.5 m -70.4 84.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -77.33 -53.3 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' GLY . 4.7 tp-100 -111.06 39.82 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLN . . . 37.34 80.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -57.13 151.52 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.93 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -94.83 138.56 32.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.6 p -50.2 130.07 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -97.92 82.1 2.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 t -156.42 161.07 40.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 40.92 -159.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -173.82 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -116.45 42.36 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.0 t -80.57 89.08 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.5 179.976 . . . . . . . . 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 -0.294 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -59.59 104.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m 61.81 44.14 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.67 97.9 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 p -112.2 45.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -62.06 153.14 30.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.99 126.96 2.88 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.636 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 t-160 -65.09 -51.41 55.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 8' ' ' HIS . 54.0 Cg_endo -69.73 124.95 11.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mmt -146.78 146.82 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.27 144.28 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.01 22.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.46 -36.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.444 ' CB ' ' HB2' ' A' ' 17' ' ' GLU . 63.4 m80 -108.69 174.92 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 16' ' ' ASP . 3.0 pp20? -116.21 -48.42 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.445 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 14.2 m-20 -93.61 -33.31 13.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB2' ' CB ' ' A' ' 14' ' ' HIS . 31.1 mm-40 -65.17 105.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -75.01 165.9 24.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mm -66.92 127.8 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -113.86 -45.3 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 32' ' ' SER . 43.8 pt -119.66 172.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 31.6 t80 -124.43 133.05 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.551 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.1 t -85.14 149.36 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -105.02 -61.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.0 m -33.62 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.8 p -73.68 -14.24 61.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 63.24 54.23 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.56 131.51 13.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 81.87 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -108.32 153.53 23.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -63.21 179.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.484 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 4.9 t -84.04 -41.01 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -39.59 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 52.5 m -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 1.4 tmmt? -77.61 -49.2 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.433 HG21 ' CD2' ' A' ' 37' ' ' PHE . 20.7 m -76.58 -39.55 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.433 ' CD2' HG21 ' A' ' 36' ' ' VAL . 26.6 m-85 -104.17 -56.96 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -47.49 178.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.3 1.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.354 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.86 52.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -91.89 -41.63 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.8 32.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.7 m -120.72 -175.11 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -138.84 107.5 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 m -97.72 146.48 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.88 165.35 19.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.8 Cg_endo -69.76 91.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 9.5 tp -34.94 -36.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 47' ' ' PRO . 4.5 mp0 -58.71 86.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.9 m 62.89 48.92 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 79.4 t -38.54 102.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -103.07 -63.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.82 -61.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.44 127.83 3.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -101.66 141.3 34.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -73.18 126.97 31.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -74.59 131.77 41.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -146.33 110.94 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.3 p -64.18 -55.04 24.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.3 112.4 3.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.6 p -81.33 44.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -104.48 99.76 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.506 -179.982 . . . . . . . . 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 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -54.94 112.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -116.41 107.34 14.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.69 47.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -155.32 107.09 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -161.4 147.2 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.03 -106.18 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -173.62 134.05 0.62 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 166.98 25.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 11' ' ' CYS . 4.1 ppp? -91.17 153.74 19.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.473 ' N ' HD13 ' A' ' 19' ' ' ILE . 11.6 t -51.63 98.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 14.7 pttm -45.16 -37.82 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 8.7 tp10 -52.79 -44.47 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 17' ' ' GLU . 32.8 m80 -99.49 155.58 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -100.43 -49.38 4.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -111.76 43.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HB3' ' CB ' ' A' ' 14' ' ' HIS . 10.1 tp10 -133.97 91.72 2.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -64.56 139.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.473 HD13 ' N ' ' A' ' 11' ' ' CYS . 27.5 mm -40.14 112.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -95.86 -43.05 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.439 HD11 ' CB ' ' A' ' 45' ' ' VAL . 32.5 pt -127.6 175.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' CE1' HD12 ' A' ' 24' ' ' LEU . 13.2 t80 -132.06 130.07 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.3 t -81.87 146.09 30.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -104.79 -61.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.2 m -30.62 -67.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 p -79.85 -12.95 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 45.3 mt-10 63.46 53.79 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.91 128.78 11.31 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 101.55 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -126.33 150.24 48.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 14.3 p -63.17 178.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m -82.85 -34.09 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -54.91 -35.51 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.98 -23.7 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' CD ' HG23 ' A' ' 45' ' ' VAL . 13.4 ttpt -83.51 -41.29 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.549 HG23 ' CD2' ' A' ' 37' ' ' PHE . 19.2 m -97.72 -36.39 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CD2' HG23 ' A' ' 36' ' ' VAL . 20.7 m-85 -116.01 41.45 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 -123.61 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -133.82 7.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.16 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -101.08 54.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -95.6 -40.0 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.33 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m -70.07 -174.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -136.91 107.46 6.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 ' CD ' ' A' ' 35' ' ' LYS . 34.2 m -86.96 153.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.81 164.63 41.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 48' ' ' LEU . 53.3 Cg_endo -69.75 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 47' ' ' PRO . 14.5 tp -32.29 -60.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' LEU . 13.4 mm-40 -36.2 -54.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 m -128.41 80.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -72.99 64.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -118.88 -44.76 2.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -144.35 159.31 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.21 72.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.17 -54.61 4.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -71.13 155.11 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.5 m -145.11 135.8 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -40.71 -46.98 2.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' GLY . 58.3 p -85.12 158.45 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' SER . . . -34.73 103.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 104.52 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.2 t -46.29 141.0 3.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -97.75 -43.79 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.512 -179.959 . . . . . . . . 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 ' 10' ' ' MET . . . . . . . . . . . . . 56.7 mtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.561 ' N ' HD11 ' A' ' 19' ' ' ILE . 12.6 t -48.42 133.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -64.37 -46.66 82.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.13 -56.69 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -96.49 94.55 7.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -49.52 -42.31 43.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 2.8 p30 -110.75 80.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -158.19 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.23 118.6 8.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.561 HD11 ' N ' ' A' ' 11' ' ' CYS . 47.5 mm -51.05 131.73 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -106.09 -46.29 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.64 HD11 ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -119.82 173.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.619 ' HB2' HD13 ' A' ' 48' ' ' LEU . 22.7 t80 -128.35 129.57 46.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.519 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.9 t -80.87 151.15 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -108.26 -61.03 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LEU . 51.5 m -33.05 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 28' ' ' VAL . 11.8 p -75.3 -21.21 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 70.77 53.48 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.456 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.4 m -140.33 129.07 13.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 88.54 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -111.32 163.35 14.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -68.62 -176.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.692 ' O ' HG22 ' A' ' 36' ' ' VAL . 1.3 t -92.91 -32.87 14.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.426 ' H ' ' CE ' ' A' ' 33' ' ' MET . 0.5 OUTLIER -56.81 -30.52 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.4 m -80.04 -21.44 43.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 13.6 tmtt? -87.71 -37.18 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 32' ' ' SER . 15.2 m -96.55 -28.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.665 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.6 m-85 -128.71 43.03 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 -150.4 5.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.699 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -95.16 -17.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.363 . . . . 0.0 111.143 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -74.7 58.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -98.74 -46.63 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.42 63.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.491 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 37.3 m -65.59 -178.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -131.94 101.57 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.24 149.59 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -128.66 166.04 27.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.568 0.699 . . . . 0.0 111.091 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.76 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' A' ' 22' ' ' TYR . 19.2 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 ptm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -55.2 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -48.28 -45.98 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -95.13 151.76 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 8.0 pt-20 -97.08 -38.66 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 4.2 m-20 -105.02 -49.29 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.0 92.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -73.3 -178.73 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 30' ' ' THR . 32.0 mm -71.37 122.55 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -111.55 -37.45 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.729 HD12 HG11 ' A' ' 45' ' ' VAL . 32.8 pt -126.73 175.12 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.526 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 24.0 t80 -124.7 130.73 52.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.477 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.6 t -82.08 146.85 29.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -104.71 -61.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -31.71 -65.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.682 ' SG ' HG22 ' A' ' 28' ' ' VAL . 19.7 p -84.86 -14.71 47.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 64.53 52.02 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.682 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.3 m -136.93 124.29 14.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.69 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.491 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 12.3 t -116.47 157.42 25.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 p -57.04 171.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -87.1 8.01 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.54 -38.67 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.461 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 61.6 m -68.53 -34.68 76.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HD3' HG13 ' A' ' 45' ' ' VAL . 27.2 tptp -62.09 -62.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.3 m -77.37 -34.04 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.8 m-85 -125.58 62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -174.76 172.96 45.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -50.71 -27.28 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.452 ' N ' HD12 ' A' ' 39' ' ' ILE . 92.4 m-70 -72.64 66.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -100.7 -47.02 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.31 34.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 35.2 m -119.83 176.35 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -136.81 109.16 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.729 HG11 HD12 ' A' ' 21' ' ' ILE . 27.0 m -87.72 155.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.872 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -124.42 169.27 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 111.089 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.872 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.74 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 11.2 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 61.1 mmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.91 135.67 57.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -51.8 -41.43 61.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.41 -48.94 15.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.482 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 15.3 m80 -104.54 121.58 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -91.22 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.27 -45.17 9.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.61 118.07 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.4 mmmm -68.35 148.38 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.21 121.08 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -94.47 -46.32 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.669 HD12 HG11 ' A' ' 45' ' ' VAL . 28.4 pt -125.02 175.08 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 28.4 t80 -125.73 137.42 53.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.8 t -88.85 147.63 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.451 HD12 ' CE2' ' A' ' 22' ' ' TYR . 1.6 mp -104.05 -62.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 48.9 m -32.62 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.884 ' SG ' HG22 ' A' ' 28' ' ' VAL . 22.8 p -73.61 -13.9 61.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.0 52.71 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.884 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 m -138.64 128.1 14.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -121.03 157.85 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.482 ' HG ' ' CE1' ' A' ' 14' ' ' HIS . 18.2 p -61.98 172.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' HD11 ' A' ' 21' ' ' ILE . 17.0 p -91.7 7.35 42.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 mmt -93.99 -33.95 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 38' ' ' GLY . 57.9 m -71.89 -43.83 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -54.56 -58.15 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.2 m -77.56 -37.86 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.4 m-85 -127.06 67.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -168.96 -139.32 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.728 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -105.8 -24.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.12 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -69.33 69.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -101.18 -49.5 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.91 34.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 29.7 m -120.53 -174.91 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' O ' HD13 ' A' ' 24' ' ' LEU . 7.5 mt-10 -138.51 106.95 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.669 HG11 HD12 ' A' ' 21' ' ' ILE . 10.5 m -89.64 149.61 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -139.53 162.15 52.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.75 109.96 2.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.2 mm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.484 ' HE2' ' C ' ' A' ' 17' ' ' GLU . 77.6 mtp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.769 0.319 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.0 t -51.13 128.85 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -59.54 -46.16 89.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.18 -53.61 33.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -87.95 165.29 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.54 -44.67 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -118.37 47.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.484 ' C ' ' HE2' ' A' ' 10' ' ' MET . 26.8 tp10 -129.45 98.6 4.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -58.53 157.63 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 29' ' ' PRO . 31.2 mm -70.23 128.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.7 -46.22 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.441 HD12 HG11 ' A' ' 45' ' ' VAL . 24.2 pt -122.1 174.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.616 ' HB2' HD13 ' A' ' 48' ' ' LEU . 21.5 t80 -127.53 131.22 50.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.1 t -84.96 141.5 30.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.2 mp -97.32 -64.17 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.6 m -29.9 -72.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.865 ' SG ' HG22 ' A' ' 28' ' ' VAL . 18.1 p -75.91 -15.91 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.5 mt-10 64.18 54.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.865 HG22 ' SG ' ' A' ' 26' ' ' CYS . 5.7 m -138.51 125.12 12.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.638 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.7 Cg_endo -69.74 91.74 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -112.16 165.06 12.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -64.14 173.22 2.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.415 ' OG ' ' HE2' ' A' ' 33' ' ' MET . 30.0 p -96.28 8.0 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.415 ' HE2' ' OG ' ' A' ' 32' ' ' SER . 33.2 mmt -96.24 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -76.48 -37.89 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.673 ' HD2' HG13 ' A' ' 36' ' ' VAL . 2.4 tmtm? -58.98 -60.23 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 26.9 m -76.17 -35.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 3.8 m-85 -132.09 71.5 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.09 -116.75 0.38 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -128.17 -29.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.457 ' N ' HD12 ' A' ' 39' ' ' ILE . 95.8 m-70 -69.35 69.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -99.65 -44.66 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.17 32.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -120.47 178.35 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -130.37 109.15 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 21' ' ' ILE . 16.9 m -94.66 145.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -123.53 168.48 12.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.102 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.78 91.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 22' ' ' TYR . 19.0 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.518 ' HE1' ' O ' ' A' ' 16' ' ' ASP . 40.8 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.9 t -70.49 131.58 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -48.44 -40.8 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -85.0 -50.16 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -99.0 94.15 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -88.79 11.95 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.518 ' O ' ' HE1' ' A' ' 10' ' ' MET . 0.8 OUTLIER -107.66 -54.99 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.29 139.04 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' HE3' ' A' ' 10' ' ' MET . 0.1 OUTLIER -65.68 165.17 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.41 HD11 ' C ' ' A' ' 10' ' ' MET . 29.8 mm -69.45 110.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -77.42 -50.9 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.728 HD12 ' CB ' ' A' ' 45' ' ' VAL . 27.9 pt -132.76 175.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.639 ' CE1' HD12 ' A' ' 24' ' ' LEU . 7.4 t80 -121.65 134.08 54.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.1 t -83.67 141.71 31.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.639 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -98.31 -58.17 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 89.5 m -35.55 -67.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.832 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.7 p -83.47 0.69 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 13.1 pt-20 47.49 54.85 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.832 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.6 m -136.43 125.02 15.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.89 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -112.07 153.28 27.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.7 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -96.04 -28.1 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -36.98 70.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.518 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 63.4 m -71.45 -22.21 61.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.3 tptp -86.76 -55.68 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.5 m -60.77 -30.48 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 36' ' ' VAL . 9.1 m-85 -125.98 -58.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -39.33 164.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.419 HD13 ' N ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -56.15 -12.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 80.4 m-70 -74.91 45.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -90.94 -42.19 10.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -25.36 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.46 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 50.0 m -65.04 -177.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -134.69 101.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.728 ' CB ' HD12 ' A' ' 21' ' ' ILE . 19.7 m -87.56 154.89 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.876 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -133.05 169.64 13.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.876 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.3 Cg_endo -69.76 95.06 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 9.7 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.426 ' HE2' ' N ' ' A' ' 18' ' ' LYS . 13.8 mtp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.2 t -64.75 125.76 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -43.25 -62.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.604 ' CE1' ' SG ' ' A' ' 31' ' ' CYS . 13.6 m170 -57.87 -173.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 8.4 mt-10 -121.59 90.59 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.472 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 3.6 p30 50.12 43.73 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 11.0 mm-40 -100.63 98.49 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLU . 29.1 mttp -32.84 115.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.6 mm -39.94 132.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.83 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -114.77 175.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.514 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 18.4 t80 -124.11 129.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.4 t -79.73 151.35 30.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 25' ' ' THR . 1.9 mp -109.87 -60.66 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.4 m -32.52 -65.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.872 ' SG ' HG22 ' A' ' 28' ' ' VAL . 12.7 p -81.71 -13.91 57.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 67.8 mm-40 64.84 52.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.872 HG22 ' SG ' ' A' ' 26' ' ' CYS . 4.6 m -139.84 129.78 13.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 88.18 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.389 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.407 HG22 ' HB2' ' A' ' 23' ' ' CYS . 6.2 t -115.1 149.68 37.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 24.2 p -52.77 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 21' ' ' ILE . 6.2 t -96.25 -40.26 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.555 ' HE1' ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -52.36 -42.6 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -68.06 -9.94 49.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' C ' ' CD ' ' A' ' 35' ' ' LYS . 3.4 tmtt? -95.71 -45.12 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.1 m -83.21 -23.52 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.726 ' CD2' HG23 ' A' ' 36' ' ' VAL . 55.7 m-85 -121.51 -46.15 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 -165.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.506 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -82.78 -14.26 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -71.26 65.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -100.99 -39.26 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.28 31.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 44.5 m -122.55 176.12 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -133.78 104.87 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.632 ' CB ' HD12 ' A' ' 21' ' ' ILE . 28.9 m -89.07 156.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.844 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -130.03 168.22 17.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.844 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.78 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 10.9 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.605 ' HE3' ' HA ' ' A' ' 18' ' ' LYS . 21.6 mtp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.768 0.318 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -65.31 116.68 6.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -38.14 -45.69 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 mt-10 -64.86 -58.31 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -102.83 104.66 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -88.57 2.32 53.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -93.82 -51.83 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -89.32 139.89 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 0.0 OUTLIER -75.55 164.81 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.39 118.24 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.804 HD12 HG11 ' A' ' 45' ' ' VAL . 27.9 pt -129.23 174.3 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.666 ' HB2' HD13 ' A' ' 48' ' ' LEU . 37.4 t80 -125.64 132.76 52.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.5 t -87.6 138.17 31.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.526 HD12 ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -92.84 -58.16 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' ' SG ' ' A' ' 43' ' ' CYS . 94.9 m -34.97 -69.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.658 ' O ' HG13 ' A' ' 28' ' ' VAL . 6.9 p -81.61 0.69 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 16.0 pt-20 47.01 55.02 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 26' ' ' CYS . 1.4 m -140.14 127.78 12.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -120.35 152.82 37.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -53.38 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.645 ' HA ' HD11 ' A' ' 21' ' ' ILE . 41.5 t -95.78 -24.49 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -38.62 87.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 67.8 m -72.88 -23.92 60.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.824 ' HD3' HG13 ' A' ' 45' ' ' VAL . 2.5 tptm -83.25 -43.6 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.633 HG23 ' CD2' ' A' ' 37' ' ' PHE . 31.8 m -84.12 -27.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CD2' HG23 ' A' ' 36' ' ' VAL . 20.9 m-85 -117.24 -56.23 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' PHE . . . -48.94 -179.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 39' ' ' ILE . 2.8 pp -71.01 -3.93 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -82.11 36.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -82.51 -35.12 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -22.4 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.474 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 54.9 m -67.16 -175.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -141.99 105.01 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.824 HG13 ' HD3' ' A' ' 35' ' ' LYS . 25.5 m -87.84 158.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.857 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -129.49 169.27 13.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.857 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.1 Cg_endo -69.7 88.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.374 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 22' ' ' TYR . 13.7 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.461 ' HE3' ' N ' ' A' ' 17' ' ' GLU . 35.4 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.55 148.37 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -47.91 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -64.89 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.627 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -58.39 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -134.97 95.33 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t0 69.75 47.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' N ' ' HE3' ' A' ' 10' ' ' MET . 17.2 mt-10 -117.96 101.35 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' GLU . 32.4 mmtt -33.89 131.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.08 150.01 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -114.39 -45.26 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.621 HD12 ' CB ' ' A' ' 45' ' ' VAL . 38.5 pt -124.17 175.03 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 34.5 t80 -126.44 134.04 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 15.4 t -86.23 150.36 24.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -106.01 -60.34 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.3 m -33.88 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' HG ' ' HG ' ' A' ' 23' ' ' CYS . 9.1 p -69.72 -21.31 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 26' ' ' CYS . 25.2 mt-10 70.97 54.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 m -144.35 130.72 10.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 53.7 Cg_endo -69.78 86.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -109.74 147.53 33.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.627 ' HG ' ' CE1' ' A' ' 14' ' ' HIS . 13.7 p -53.86 175.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.585 ' HA ' HD11 ' A' ' 21' ' ' ILE . 16.4 t -86.47 -37.8 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -46.89 -40.3 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 68.3 m -72.17 -37.07 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.782 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.0 tptm -64.38 -53.48 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.702 HG23 ' CD2' ' A' ' 37' ' ' PHE . 30.0 m -81.64 -34.02 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.702 ' CD2' HG23 ' A' ' 36' ' ' VAL . 4.3 m-85 -129.41 60.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.37 -172.27 35.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.534 HD13 ' N ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -65.84 -23.02 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 39.7 m80 -73.13 67.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -102.19 -51.36 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.64 34.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.492 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 28.1 m -118.96 -179.79 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.15 104.81 5.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.782 HG13 ' HD3' ' A' ' 35' ' ' LYS . 35.6 m -92.25 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -138.11 160.46 64.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.532 0.682 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.75 103.63 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 22' ' ' TYR . 1.6 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.474 ' HE2' ' O ' ' A' ' 14' ' ' HIS . 12.7 ptm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -44.61 108.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.3 ptpp? -57.47 -34.1 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 16.2 mm-40 -61.47 -44.86 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.474 ' O ' ' HE2' ' A' ' 10' ' ' MET . 82.5 m-70 -106.97 104.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.28 -34.61 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.47 -71.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 18.4 mp0 -53.91 121.32 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -95.02 178.08 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 29' ' ' PRO . 24.6 mm -65.91 108.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -99.16 -38.31 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.645 HD12 ' CB ' ' A' ' 45' ' ' VAL . 43.7 pt -128.38 173.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.734 ' HB2' HD13 ' A' ' 48' ' ' LEU . 26.1 t80 -123.56 132.61 53.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.0 t -82.43 145.33 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -103.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 24' ' ' LEU . 49.8 m -30.15 -69.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.829 ' SG ' HG22 ' A' ' 28' ' ' VAL . 16.5 p -77.52 -19.17 56.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 40.0 mt-10 67.6 54.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.829 HG22 ' SG ' ' A' ' 26' ' ' CYS . 5.8 m -138.5 126.97 14.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.8 Cg_endo -69.74 89.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' CYS . 10.1 t -114.91 153.74 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' THR . 14.8 p -50.33 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 36' ' ' VAL . 5.6 t -94.14 -19.86 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 35' ' ' LYS . 28.9 mmt -67.38 -68.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.3 m -39.22 -25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' MET . 20.3 tptt -75.39 -61.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 32' ' ' SER . 3.4 m -72.86 -42.4 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.6 m-85 -125.89 69.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.94 -126.89 0.85 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.4 7.99 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -101.46 33.53 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -73.41 -37.94 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.24 33.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.114 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.497 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 48.7 m -127.46 -178.05 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -131.6 103.17 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.645 ' CB ' HD12 ' A' ' 21' ' ' ILE . 16.0 m -88.31 149.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.197 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.85 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -128.12 168.83 14.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 111.095 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.85 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.2 Cg_endo -69.77 89.7 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' A' ' 22' ' ' TYR . 18.1 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.432 ' HE1' ' O ' ' A' ' 16' ' ' ASP . 23.1 mtp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.78 110.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -53.15 -52.4 58.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.477 ' OE1' ' CD2' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -42.69 -46.44 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.477 ' CD2' ' OE1' ' A' ' 13' ' ' GLU . 11.7 m-70 -85.59 172.69 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -93.25 74.22 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.432 ' O ' ' HE1' ' A' ' 10' ' ' MET . 32.2 m-20 63.34 46.28 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' HE2' ' A' ' 10' ' ' MET . 14.4 tp10 -92.56 122.77 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -46.91 131.7 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 29' ' ' PRO . 49.0 mm -61.92 134.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -104.5 -49.34 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 32' ' ' SER . 48.1 pt -125.69 174.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 30.7 t80 -124.08 138.11 54.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.3 t -91.39 146.96 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -103.28 -61.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.4 m -33.34 -70.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.797 ' SG ' HG22 ' A' ' 28' ' ' VAL . 19.8 p -77.48 -17.52 57.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 66.96 53.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.797 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 m -137.54 127.06 15.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.161 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.57 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.8 Cg_endo -69.74 85.97 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -115.33 157.92 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 p -61.68 -176.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.652 ' HA ' HD11 ' A' ' 21' ' ' ILE . 29.9 t -92.69 -32.68 14.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.461 ' H ' ' CE ' ' A' ' 33' ' ' MET . 0.6 OUTLIER -54.72 -33.35 60.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.6 -24.35 53.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -84.58 -40.23 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.746 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.6 m -94.18 -25.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.746 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.3 m-85 -131.21 42.31 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.87 -161.59 10.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -82.45 -15.93 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -75.48 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.28 -42.4 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.53 33.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.4 m -122.06 173.72 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -129.6 105.29 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CB ' HD12 ' A' ' 21' ' ' ILE . 31.1 m -91.66 152.18 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -125.34 166.83 18.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 111.067 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 87.42 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' A' ' 22' ' ' TYR . 15.4 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.52 ' CE ' ' N ' ' A' ' 18' ' ' LYS . 15.6 mtp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' N ' HD11 ' A' ' 19' ' ' ILE . 11.0 t -66.39 151.4 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -94.54 -48.72 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -48.01 -44.14 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.492 ' CE1' ' HB2' ' A' ' 33' ' ' MET . 12.8 m-70 -77.94 175.2 10.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -96.36 67.05 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.63 54.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' C ' ' HE2' ' A' ' 10' ' ' MET . 22.7 tp10 -106.29 123.47 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.52 ' N ' ' CE ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -50.5 157.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 30' ' ' THR . 45.0 mm -91.43 103.88 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -69.2 -58.13 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.991 HD12 HG21 ' A' ' 45' ' ' VAL . 9.6 pt -112.89 166.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.879 ' HB2' HD13 ' A' ' 48' ' ' LEU . 39.0 t80 -117.42 136.45 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.3 t -86.69 137.76 32.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.894 HD21 ' HB2' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -95.72 -55.87 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 96.3 m -36.06 -66.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.716 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.4 p -86.45 1.13 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 9.5 pt-20 46.33 54.93 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.716 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.1 m -138.76 127.28 13.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' ' 19' ' ' ILE . 15.2 t -128.11 159.62 34.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HG ' ' CD2' ' A' ' 14' ' ' HIS . 14.1 p -60.03 -174.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 36' ' ' VAL . 29.2 t -96.74 -39.29 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.492 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -50.05 -31.64 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.8 m -79.22 -23.71 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.748 ' HD3' HG13 ' A' ' 45' ' ' VAL . 17.8 tptp -85.9 -43.46 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.815 HG23 ' CD2' ' A' ' 37' ' ' PHE . 18.5 m -85.07 -33.36 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.815 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.5 m-85 -133.77 48.41 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.47 177.77 30.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.617 HD13 ' N ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -56.35 -16.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 111.111 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 69.2 m80 -82.17 66.21 7.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -101.55 -43.77 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.92 30.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 23.8 m -119.23 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' O ' HD22 ' A' ' 24' ' ' LEU . 13.3 pt-20 -147.32 110.98 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 21' ' ' ILE . 20.9 m -88.3 155.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.894 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -130.01 164.06 43.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.706 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.879 HD13 ' HB2' ' A' ' 22' ' ' TYR . 14.2 tp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 87.6 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' LYS . 33.8 t -72.57 111.36 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' CYS . 36.8 mtmt -37.41 -50.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -63.62 -59.19 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -86.53 90.6 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.35 -46.13 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.73 83.35 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -174.57 113.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.59 121.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' LYS . 44.8 mm -34.19 113.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -88.39 -42.61 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 32' ' ' SER . 24.7 pt -134.96 174.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 33.4 t80 -125.41 132.88 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 11.7 t -82.48 152.26 26.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 44' ' ' GLU . 3.3 mp -110.11 -58.59 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 m -36.59 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.79 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.5 p -69.91 -19.24 63.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 69.44 53.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.79 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.6 m -140.61 130.01 13.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 99.27 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 23' ' ' CYS . 4.2 t -123.45 151.27 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.68 167.38 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.67 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 m -64.23 -47.66 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.471 ' O ' ' C ' ' A' ' 37' ' ' PHE . 24.1 mmt -37.98 -37.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.473 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 56.4 m -74.31 -46.82 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.738 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.1 tptp -62.52 -52.74 62.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.693 HG23 ' CD2' ' A' ' 37' ' ' PHE . 34.2 m -78.91 -34.92 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.693 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.7 m-85 -132.28 63.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.48 177.96 42.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.8 pp -61.43 -22.99 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.164 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 39' ' ' ILE . 91.7 m-70 -74.13 68.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -101.62 -49.03 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.5 33.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 30.2 m -115.84 -174.22 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 24' ' ' LEU . 42.4 mt-10 -135.34 114.88 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.738 HG13 ' HD3' ' A' ' 35' ' ' LYS . 27.7 m -104.64 146.32 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -138.5 168.96 13.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.848 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.5 Cg_endo -69.78 106.29 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.658 2.238 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.0 mm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.463 ' N ' HD11 ' A' ' 19' ' ' ILE . 44.8 t -48.27 142.58 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -49.68 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.28 -56.3 23.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -66.07 -173.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -135.63 101.1 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 64.08 55.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -126.45 109.5 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -45.29 143.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 11' ' ' CYS . 45.1 mm -77.16 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -92.41 -39.02 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.731 HD12 HG21 ' A' ' 45' ' ' VAL . 11.1 pt -135.06 175.27 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.526 ' CE1' HD12 ' A' ' 24' ' ' LEU . 19.7 t80 -122.83 128.3 50.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.9 t -82.31 149.43 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -107.58 -60.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 66.4 m -31.45 -67.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' SG ' HG22 ' A' ' 28' ' ' VAL . 8.8 p -79.32 -14.93 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.5 mt-10 64.94 53.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.452 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -144.75 127.61 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 111.112 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 53.5 Cg_endo -69.77 83.05 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -104.98 153.33 21.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 p -53.83 -176.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.564 ' O ' HG22 ' A' ' 36' ' ' VAL . 22.7 t -97.58 -36.69 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.5 mmt -50.52 -30.15 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 55.9 m -79.52 -40.31 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.728 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.6 tptp -64.83 -49.25 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.803 HG23 ' CD2' ' A' ' 37' ' ' PHE . 30.9 m -81.36 -33.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CD2' HG23 ' A' ' 36' ' ' VAL . 8.9 m-85 -134.85 61.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -167.65 -175.03 37.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.8 pp -60.1 -27.53 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.525 ' N ' HD12 ' A' ' 39' ' ' ILE . 91.2 m-70 -70.24 67.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -101.65 -49.37 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 33.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.9 m -118.87 178.02 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.79 104.9 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.731 HG21 HD12 ' A' ' 21' ' ' ILE . 30.7 m -87.67 156.4 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -142.34 160.57 54.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.76 105.69 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 34.8 mtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -75.94 107.79 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -46.17 -47.06 17.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -50.58 -47.29 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -92.32 155.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.12 -59.57 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.404 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 5.7 m-20 -122.0 79.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 13.7 mp0 -153.34 105.42 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.09 152.3 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mm -71.89 114.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.407 ' OD1' ' HB2' ' A' ' 32' ' ' SER . 1.5 p30 -91.55 -39.11 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.648 HD12 ' HB ' ' A' ' 45' ' ' VAL . 47.0 pt -130.71 175.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.6 ' HB2' HD13 ' A' ' 48' ' ' LEU . 15.7 t80 -128.58 137.82 51.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.56 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.4 t -86.35 148.86 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD12 ' CE2' ' A' ' 22' ' ' TYR . 1.1 mp -107.27 -62.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -30.61 -66.8 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.856 ' SG ' HG22 ' A' ' 28' ' ' VAL . 14.2 p -81.23 -13.95 58.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mm-40 64.21 53.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.856 HG22 ' SG ' ' A' ' 26' ' ' CYS . 4.4 m -139.49 127.21 13.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 89.38 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -115.5 156.59 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.7 p -61.9 175.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 21' ' ' ILE . 22.3 t -80.36 -37.97 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -40.18 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HA ' ' HA3' ' A' ' 38' ' ' GLY . 67.7 m -72.9 -27.98 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.677 ' HD3' HG13 ' A' ' 45' ' ' VAL . 2.0 tptm -77.34 -44.98 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.639 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.7 m -82.25 -38.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CD2' HG23 ' A' ' 36' ' ' VAL . 26.9 m-85 -104.02 -57.0 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 34' ' ' CYS . . . -48.07 177.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.497 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.434 HD12 ' C ' ' A' ' 39' ' ' ILE . 2.7 pp -78.95 8.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.401 ' O ' ' HD2' ' A' ' 35' ' ' LYS . 69.1 m-70 -88.01 29.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -76.26 -41.98 47.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -19.77 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -70.99 -177.5 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -129.83 105.32 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.677 HG13 ' HD3' ' A' ' 35' ' ' LYS . 35.3 m -88.41 151.18 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -134.06 160.1 69.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.3 Cg_endo -69.73 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 22' ' ' TYR . 13.0 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.487 ' HE1' ' O ' ' A' ' 15' ' ' GLU . 13.6 ptm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HB2' HD13 ' A' ' 19' ' ' ILE . 10.3 t -80.86 97.93 7.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -49.26 -44.58 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -46.32 -45.39 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 33' ' ' MET . 64.0 m80 -97.21 179.36 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' O ' ' HE1' ' A' ' 10' ' ' MET . 25.5 mt-10 -106.2 -66.77 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 16' ' ' ASP . 6.2 p-10 -115.64 84.19 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -128.47 -13.67 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 19' ' ' ILE . 2.0 mptm? 34.32 47.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 21' ' ' ILE . 33.6 mm 31.31 54.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.483 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -30.51 -48.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.681 ' O ' HG22 ' A' ' 19' ' ' ILE . 12.3 pt -127.06 174.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.738 ' CE1' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -125.94 137.8 53.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.585 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.5 t -81.2 142.56 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.1 mp -100.29 -63.02 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.9 m -29.39 -76.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.3 p -68.78 -17.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' LEU . 29.6 mt-10 67.83 53.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.59 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.7 m -142.8 130.34 11.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 101.45 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' CYS . 13.0 t -129.91 152.84 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.3 p -60.14 176.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 36' ' ' VAL . 3.4 t -88.34 -28.02 21.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.575 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 7.1 mmt -58.16 -32.47 68.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -80.82 -21.27 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.68 ' HE3' HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -86.62 -54.54 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.785 HG23 ' CD2' ' A' ' 37' ' ' PHE . 34.6 m -83.61 -24.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.785 ' CD2' HG23 ' A' ' 36' ' ' VAL . 10.4 m-85 -134.86 49.8 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.01 -143.72 3.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.6 pp -95.11 -32.46 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.447 ' N ' HD12 ' A' ' 39' ' ' ILE . 88.7 m-70 -65.77 71.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' ILE . 23.3 mmmt -101.29 -39.89 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 33.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 34.1 m -120.77 178.86 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 43' ' ' CYS . 11.2 mm-40 -132.32 112.84 12.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.608 HG21 ' HE2' ' A' ' 35' ' ' LYS . 26.0 m -91.44 156.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -149.26 162.61 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.658 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.77 108.43 2.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.354 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.2 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' N ' HD11 ' A' ' 19' ' ' ILE . 11.7 t -72.79 112.46 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -38.07 -61.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.71 -48.54 63.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -114.34 83.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -66.06 -41.29 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.406 ' O ' ' CE ' ' A' ' 18' ' ' LYS . 5.2 m-20 -60.72 -47.11 87.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.84 153.86 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -93.4 173.54 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.416 HD11 ' N ' ' A' ' 11' ' ' CYS . 49.8 mm -87.88 106.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -84.7 -43.76 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.685 HD11 ' HA ' ' A' ' 32' ' ' SER . 17.8 pt -118.97 174.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 24' ' ' LEU . 76.2 t80 -133.94 126.54 30.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 17.7 t -80.65 138.9 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 22' ' ' TYR . 2.4 mm? -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.1 m -38.9 -61.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 28' ' ' VAL . 7.9 p -89.81 -9.82 47.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 64.04 53.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.5 m -140.44 131.25 13.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.099 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 96.25 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 23' ' ' CYS . 10.0 t -117.28 165.52 13.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.2 -175.21 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.685 ' HA ' HD11 ' A' ' 21' ' ' ILE . 22.9 m -82.87 -44.41 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -45.51 -38.01 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 66.4 m -75.51 -39.11 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HD2' HG13 ' A' ' 36' ' ' VAL . 8.3 tmtt? -65.1 -54.64 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.1 m -81.8 -35.94 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 4.7 m-85 -124.99 60.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -169.64 179.75 41.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.556 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.6 pp -60.65 -24.37 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' N ' HD12 ' A' ' 39' ' ' ILE . 89.8 m-70 -72.14 66.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -101.02 -49.83 4.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.98 34.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.499 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 25.1 m -121.88 178.52 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.88 116.49 17.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.618 HG11 HD12 ' A' ' 21' ' ' ILE . 12.6 m -102.48 138.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.875 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -132.94 170.4 11.5 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.875 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.4 Cg_endo -69.76 110.69 2.62 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 22' ' ' TYR . 3.8 mm? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.1 mtp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.95 105.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -47.23 -46.77 24.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 30.1 mt-10 -46.22 -52.55 12.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.4 162.25 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.68 -56.27 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.86 80.77 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -123.45 118.25 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -75.41 99.67 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 49.2 mm -33.6 110.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -93.54 -46.26 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.727 HD12 HG21 ' A' ' 45' ' ' VAL . 29.4 pt -124.46 174.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.738 ' CE1' HD12 ' A' ' 24' ' ' LEU . 4.4 t80 -126.51 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.536 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.7 t -83.73 145.8 28.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -103.44 -61.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.4 m -29.67 -66.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.8 ' SG ' HG22 ' A' ' 28' ' ' VAL . 6.8 p -81.56 -16.65 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 24' ' ' LEU . 25.0 mt-10 67.37 54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.8 HG22 ' SG ' ' A' ' 26' ' ' CYS . 9.6 m -141.28 127.49 11.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.24 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ILE . 12.7 t -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -62.73 -177.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.602 ' HA ' HD11 ' A' ' 21' ' ' ILE . 21.0 t -93.04 -32.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -33.26 29.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 69.1 m -79.37 -30.63 42.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.5 tmtt? -75.4 -50.82 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.782 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.4 m -81.42 -31.58 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.782 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.0 m-85 -133.48 58.1 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -166.49 178.64 40.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -53.56 -31.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.486 ' N ' HD12 ' A' ' 39' ' ' ILE . 92.3 m-70 -68.8 69.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -100.93 -50.19 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.83 33.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 22.5 m -118.51 179.87 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -141.82 109.41 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 HD12 ' A' ' 21' ' ' ILE . 14.4 m -87.43 159.97 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -142.52 158.77 59.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.2 Cg_endo -69.75 103.75 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.4 mm? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.7 mtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' N ' HD11 ' A' ' 19' ' ' ILE . 45.0 t -46.81 156.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.9 -44.13 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -55.64 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -86.89 163.49 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 12.5 pt-20 -126.54 -42.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 m-20 -74.08 -47.79 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.73 143.61 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -95.79 172.62 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 11' ' ' CYS . 47.4 mm -76.07 117.41 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -95.41 -41.05 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.875 HD12 ' CB ' ' A' ' 45' ' ' VAL . 44.7 pt -134.23 174.32 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.61 ' CE1' HD12 ' A' ' 24' ' ' LEU . 4.3 t80 -123.94 133.86 53.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.4 t -81.88 142.83 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.61 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -98.93 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -32.56 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.4 p -73.15 -11.89 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 mt-10 61.22 54.65 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.3 m -140.13 127.95 12.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 92.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.6 t -119.01 155.28 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.7 p -55.27 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.429 ' HB3' ' CE ' ' A' ' 33' ' ' MET . 5.2 t -100.23 -35.53 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.429 ' CE ' ' HB3' ' A' ' 32' ' ' SER . 25.7 mmt -51.33 -31.63 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLY . 48.1 m -75.48 -41.03 56.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.814 HG23 ' CD2' ' A' ' 37' ' ' PHE . 33.4 m -80.69 -33.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.814 ' CD2' HG23 ' A' ' 36' ' ' VAL . 9.1 m-85 -135.03 62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -165.3 -163.94 19.66 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -84.06 9.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -107.05 54.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -93.56 -44.2 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.14 32.59 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.542 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 31.1 m -121.57 -175.94 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 24' ' ' LEU . 14.1 mt-10 -136.52 100.92 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.875 ' CB ' HD12 ' A' ' 21' ' ' ILE . 35.7 m -92.34 148.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.841 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -113.91 168.87 7.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.556 0.693 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.841 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 16.67 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 22' ' ' TYR . 23.9 tp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.27 144.28 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.01 22.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.46 -36.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 17' ' ' GLU . 50.1 m-70 -108.69 174.92 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 16' ' ' ASP . 3.0 pp20? -116.21 -48.42 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.445 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 14.2 m-20 -93.61 -33.31 13.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 14' ' ' HIS . 31.1 mm-40 -65.17 105.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -75.01 165.9 24.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 29' ' ' PRO . 49.4 mm -66.92 127.8 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -113.86 -45.3 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 32' ' ' SER . 43.8 pt -119.66 172.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 31.6 t80 -124.43 133.05 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.557 ' HB2' HG22 ' A' ' 30' ' ' THR . 9.1 t -85.14 149.36 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -105.02 -61.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.0 m -33.62 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.8 p -73.68 -14.24 61.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 63.24 54.23 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.492 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.4 m -140.56 131.51 13.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.578 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.7 Cg_endo -69.78 81.87 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 23' ' ' CYS . 10.0 t -108.32 153.53 23.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -63.21 179.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.751 ' HA ' HD11 ' A' ' 21' ' ' ILE . 4.9 t -84.04 -41.01 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.426 ' H ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -47.18 -39.59 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.467 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 52.5 m -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 1.4 tmmt? -77.61 -49.2 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' CG ' ' A' ' 37' ' ' PHE . 20.7 m -76.58 -39.55 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CG ' HG23 ' A' ' 36' ' ' VAL . 26.6 m-85 -104.17 -56.96 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -47.49 178.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.3 1.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.354 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.86 52.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -91.89 -41.63 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.8 32.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.505 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.7 m -120.72 -175.11 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -138.84 107.5 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.536 ' CB ' HD12 ' A' ' 21' ' ' ILE . 27.5 m -97.72 146.48 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.749 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -120.88 165.35 19.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.749 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.76 91.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 9.5 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 11' ' ' CYS . 4.1 ppp? . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.832 0.348 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.432 ' O ' ' SD ' ' A' ' 10' ' ' MET . 11.6 t -51.63 98.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 14.7 pttm -45.16 -37.82 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 8.7 tp10 -52.79 -44.47 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.62 ' CE1' ' HB2' ' A' ' 33' ' ' MET . 25.1 m-70 -99.49 155.58 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -100.43 -49.38 4.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -111.76 43.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 14' ' ' HIS . 10.1 tp10 -133.97 91.72 2.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -64.56 139.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mm -40.14 112.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -95.86 -43.05 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.769 HD12 HG11 ' A' ' 45' ' ' VAL . 32.5 pt -127.6 175.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.782 ' HB2' HD13 ' A' ' 48' ' ' LEU . 13.2 t80 -132.06 130.07 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.3 t -81.87 146.09 30.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -104.79 -61.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.2 m -30.62 -67.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.813 ' SG ' HG22 ' A' ' 28' ' ' VAL . 11.8 p -79.85 -12.95 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 45.3 mt-10 63.46 53.79 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.813 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.7 m -141.91 128.78 11.31 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 101.55 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -126.33 150.24 48.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 p -63.17 178.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m -82.85 -34.09 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.62 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -54.91 -35.51 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.98 -23.7 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HE2' HG13 ' A' ' 36' ' ' VAL . 13.4 ttpt -83.51 -41.29 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.554 HG13 ' HE2' ' A' ' 35' ' ' LYS . 19.2 m -97.72 -36.39 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CG ' HG23 ' A' ' 36' ' ' VAL . 20.7 m-85 -116.01 41.45 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 -123.61 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.436 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -133.82 7.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.16 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -101.08 54.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -95.6 -40.0 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.33 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.49 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m -70.07 -174.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 11.9 pt-20 -136.91 107.46 6.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.769 HG11 HD12 ' A' ' 21' ' ' ILE . 34.2 m -86.96 153.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.727 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -131.81 164.63 41.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.3 Cg_endo -69.75 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 22' ' ' TYR . 14.5 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -131.05 -48.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -87.66 171.78 10.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.59 168.95 33.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -80.15 142.47 34.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.837 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -146.62 133.09 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.95 -173.02 34.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -85.62 144.65 40.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 128.6 16.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 56.7 mtp -103.74 141.31 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.561 ' N ' HD11 ' A' ' 19' ' ' ILE . 12.6 t -48.42 133.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -64.37 -46.66 82.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.13 -56.69 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -96.49 94.55 7.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -49.52 -42.31 43.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 2.8 p30 -110.75 80.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -158.19 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.23 118.6 8.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.561 HD11 ' N ' ' A' ' 11' ' ' CYS . 47.5 mm -51.05 131.73 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -106.09 -46.29 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.64 HD11 ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -119.82 173.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.619 ' HB2' HD13 ' A' ' 48' ' ' LEU . 22.7 t80 -128.35 129.57 46.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.519 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.9 t -80.87 151.15 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -108.26 -61.03 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LEU . 51.5 m -33.05 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 28' ' ' VAL . 11.8 p -75.3 -21.21 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 70.77 53.48 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.456 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.4 m -140.33 129.07 13.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 88.54 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -111.32 163.35 14.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -68.62 -176.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.692 ' O ' HG22 ' A' ' 36' ' ' VAL . 1.3 t -92.91 -32.87 14.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.426 ' H ' ' CE ' ' A' ' 33' ' ' MET . 0.5 OUTLIER -56.81 -30.52 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.4 m -80.04 -21.44 43.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 13.6 tmtt? -87.71 -37.18 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 32' ' ' SER . 15.2 m -96.55 -28.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.665 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.6 m-85 -128.71 43.03 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 -150.4 5.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.699 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -95.16 -17.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.363 . . . . 0.0 111.143 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -74.7 58.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -98.74 -46.63 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.42 63.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.491 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 37.3 m -65.59 -178.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -131.94 101.57 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.24 149.59 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -128.66 166.04 27.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.568 0.699 . . . . 0.0 111.091 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.76 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' A' ' 22' ' ' TYR . 19.2 tp -36.56 -32.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' PRO . 5.4 tt0 -38.81 -57.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -124.92 -47.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 15.1 t 62.93 54.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.95 159.53 24.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -44.79 150.67 0.34 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.73 132.31 5.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -76.42 145.76 39.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -128.48 42.62 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.2 p -116.72 106.02 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -119.12 -47.61 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 t -74.18 125.38 28.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 61' ' ' PRO . . . 108.36 114.18 3.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD2' ' HA2' ' A' ' 60' ' ' GLY . 53.5 Cg_endo -69.73 154.68 67.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.6 p -100.59 128.21 46.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.9 t -97.91 159.93 14.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.799 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 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 -0.34 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -128.28 92.17 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -145.4 121.77 10.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.19 -42.22 0.34 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -76.52 113.63 14.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -108.73 123.08 48.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.95 -149.12 4.92 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.442 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -60.72 152.28 68.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 152.98 69.32 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 ptm -113.11 171.96 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -55.2 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -48.28 -45.98 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -95.13 151.76 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 8.0 pt-20 -97.08 -38.66 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 4.2 m-20 -105.02 -49.29 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.0 92.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -73.3 -178.73 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 30' ' ' THR . 32.0 mm -71.37 122.55 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -111.55 -37.45 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.729 HD12 HG11 ' A' ' 45' ' ' VAL . 32.8 pt -126.73 175.12 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.526 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 24.0 t80 -124.7 130.73 52.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.477 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.6 t -82.08 146.85 29.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -104.71 -61.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -31.71 -65.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.682 ' SG ' HG22 ' A' ' 28' ' ' VAL . 19.7 p -84.86 -14.71 47.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 64.53 52.02 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.682 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.3 m -136.93 124.29 14.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.69 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.491 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 12.3 t -116.47 157.42 25.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 p -57.04 171.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -87.1 8.01 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.54 -38.67 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.461 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 61.6 m -68.53 -34.68 76.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HD3' HG13 ' A' ' 45' ' ' VAL . 27.2 tptp -62.09 -62.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.3 m -77.37 -34.04 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.8 m-85 -125.58 62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -174.76 172.96 45.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -50.71 -27.28 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.452 ' N ' HD12 ' A' ' 39' ' ' ILE . 92.4 m-70 -72.64 66.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -100.7 -47.02 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.31 34.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.452 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 35.2 m -119.83 176.35 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -136.81 109.16 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.729 HG11 HD12 ' A' ' 21' ' ' ILE . 27.0 m -87.72 155.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.872 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -124.42 169.27 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 111.089 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.872 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.74 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 11.2 tp -32.62 -51.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -38.01 -59.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 t -131.51 90.32 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.37 105.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' GLN . 8.3 t80 -169.93 105.12 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' PHE . 13.8 pt20 36.59 42.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.51 -158.91 7.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -83.06 153.05 25.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -77.31 153.83 33.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.623 HG21 ' O ' ' A' ' 45' ' ' VAL . 3.3 t -124.85 105.38 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -151.67 168.91 23.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -99.58 -56.66 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.3 175.18 15.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.9 p -82.35 154.13 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -124.17 175.95 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.521 179.982 . . . . . . . . 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 1.451 -0.308 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -124.37 87.32 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -171.07 152.41 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.57 93.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -95.27 -47.92 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 m 56.65 44.53 23.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.74 131.8 5.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.488 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 m-70 -71.66 -60.67 2.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.57 0.7 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 8' ' ' HIS . 54.3 Cg_endo -69.74 134.08 27.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.384 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 61.1 mmm -152.82 170.35 20.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.91 135.67 57.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -51.8 -41.43 61.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.41 -48.94 15.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -104.54 121.58 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -91.22 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.27 -45.17 9.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.61 118.07 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.4 mmmm -68.35 148.38 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.21 121.08 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -94.47 -46.32 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.669 HD12 HG11 ' A' ' 45' ' ' VAL . 28.4 pt -125.02 175.08 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 28.4 t80 -125.73 137.42 53.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.8 t -88.85 147.63 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD12 ' CE2' ' A' ' 22' ' ' TYR . 1.6 mp -104.05 -62.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 48.9 m -32.62 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.884 ' SG ' HG22 ' A' ' 28' ' ' VAL . 22.8 p -73.61 -13.9 61.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.0 52.71 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.884 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 m -138.64 128.1 14.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -121.03 157.85 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -61.98 172.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' HD11 ' A' ' 21' ' ' ILE . 17.0 p -91.7 7.35 42.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 mmt -93.99 -33.95 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 38' ' ' GLY . 57.9 m -71.89 -43.83 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -54.56 -58.15 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.2 m -77.56 -37.86 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.4 m-85 -127.06 67.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -168.96 -139.32 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.728 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -105.8 -24.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.12 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -69.33 69.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -101.18 -49.5 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.91 34.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 29.7 m -120.53 -174.91 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' O ' HD13 ' A' ' 24' ' ' LEU . 7.5 mt-10 -138.51 106.95 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.669 HG11 HD12 ' A' ' 21' ' ' ILE . 10.5 m -89.64 149.61 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -139.53 162.15 52.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.75 109.96 2.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 49' ' ' GLN . 4.2 mm? -36.34 -40.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.468 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -32.6 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 51' ' ' VAL . 22.7 p -134.98 30.16 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 50' ' ' SER . 16.8 t 33.02 53.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' HD2' ' HZ1' ' A' ' 56' ' ' LYS . 2.8 t80 -77.28 143.33 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -140.71 111.29 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -145.33 48.45 0.7 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' GLY . 10.2 pt20 35.5 45.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HZ1' ' HD2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -93.85 -20.93 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' GLU . 25.1 m -74.55 153.58 38.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' THR . 9.6 tp10 -37.22 112.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.9 p -80.84 42.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.58 105.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 86.9 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -64.45 139.8 58.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -89.63 173.92 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.505 -179.983 . . . . . . . . 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 -0.35 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -136.48 110.4 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -157.44 154.87 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.61 52.72 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -69.16 165.32 20.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -57.57 -61.21 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.22 131.27 10.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -61.26 160.83 20.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.707 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 117.84 5.33 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.742 2.295 . . . . 0.0 112.33 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.484 ' HE2' ' C ' ' A' ' 17' ' ' GLU . 77.6 mtp -94.09 157.06 16.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.0 t -51.13 128.85 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -59.54 -46.16 89.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.18 -53.61 33.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -87.95 165.29 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.54 -44.67 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -118.37 47.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.484 ' C ' ' HE2' ' A' ' 10' ' ' MET . 26.8 tp10 -129.45 98.6 4.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -58.53 157.63 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 29' ' ' PRO . 31.2 mm -70.23 128.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.7 -46.22 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.441 HD12 HG11 ' A' ' 45' ' ' VAL . 24.2 pt -122.1 174.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.616 ' HB2' HD13 ' A' ' 48' ' ' LEU . 21.5 t80 -127.53 131.22 50.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.1 t -84.96 141.5 30.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.2 mp -97.32 -64.17 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.6 m -29.9 -72.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.865 ' SG ' HG22 ' A' ' 28' ' ' VAL . 18.1 p -75.91 -15.91 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.5 mt-10 64.18 54.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.865 HG22 ' SG ' ' A' ' 26' ' ' CYS . 5.7 m -138.51 125.12 12.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.638 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.7 Cg_endo -69.74 91.74 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -112.16 165.06 12.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -64.14 173.22 2.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.415 ' OG ' ' HE2' ' A' ' 33' ' ' MET . 30.0 p -96.28 8.0 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.415 ' HE2' ' OG ' ' A' ' 32' ' ' SER . 33.2 mmt -96.24 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -76.48 -37.89 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.673 ' HD2' HG13 ' A' ' 36' ' ' VAL . 2.4 tmtm? -58.98 -60.23 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 26.9 m -76.17 -35.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 3.8 m-85 -132.09 71.5 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.09 -116.75 0.38 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -128.17 -29.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' N ' HD12 ' A' ' 39' ' ' ILE . 95.8 m-70 -69.35 69.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -99.65 -44.66 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.17 32.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -120.47 178.35 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -130.37 109.15 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 21' ' ' ILE . 16.9 m -94.66 145.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -123.53 168.48 12.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.102 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.78 91.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 22' ' ' TYR . 19.0 tp -39.33 -39.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -44.3 -46.58 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.2 p -126.33 -48.37 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 51' ' ' VAL . 63.6 t 66.86 54.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -143.14 148.8 37.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -39.06 126.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.93 -102.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -39.57 148.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -126.47 139.09 53.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.1 p -108.93 43.8 1.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 64.39 41.45 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t -47.61 -50.13 25.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.96 107.97 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.85 37.82 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -100.76 157.6 16.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m 43.04 42.13 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.489 -179.992 . . . . . . . . 0 0 . 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 1.451 -0.334 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -120.98 42.28 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -125.6 161.4 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.05 -123.93 0.88 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 p -124.0 162.08 24.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.833 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -93.74 94.62 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.9 -160.4 28.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -90.18 152.49 46.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.39 21.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.518 ' HE1' ' O ' ' A' ' 16' ' ' ASP . 40.8 mtp -121.34 172.59 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.9 t -70.49 131.58 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -48.44 -40.8 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -85.0 -50.16 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -99.0 94.15 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -88.79 11.95 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.518 ' O ' ' HE1' ' A' ' 10' ' ' MET . 0.8 OUTLIER -107.66 -54.99 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.29 139.04 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' HE3' ' A' ' 10' ' ' MET . 0.1 OUTLIER -65.68 165.17 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.41 HD11 ' C ' ' A' ' 10' ' ' MET . 29.8 mm -69.45 110.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -77.42 -50.9 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.728 HD12 ' CB ' ' A' ' 45' ' ' VAL . 27.9 pt -132.76 175.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.639 ' CE1' HD12 ' A' ' 24' ' ' LEU . 7.4 t80 -121.65 134.08 54.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.1 t -83.67 141.71 31.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.639 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -98.31 -58.17 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 89.5 m -35.55 -67.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.832 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.7 p -83.47 0.69 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 13.1 pt-20 47.49 54.85 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.832 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.6 m -136.43 125.02 15.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.89 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -112.07 153.28 27.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.7 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -96.04 -28.1 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -36.98 70.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.518 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 63.4 m -71.45 -22.21 61.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.3 tptp -86.76 -55.68 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.5 m -60.77 -30.48 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 36' ' ' VAL . 9.1 m-85 -125.98 -58.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -39.33 164.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.419 HD13 ' N ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -56.15 -12.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 80.4 m-70 -74.91 45.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -90.94 -42.19 10.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -25.36 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.46 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 50.0 m -65.04 -177.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -134.69 101.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.728 ' CB ' HD12 ' A' ' 21' ' ' ILE . 19.7 m -87.56 154.89 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.876 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -133.05 169.64 13.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.876 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.3 Cg_endo -69.76 95.06 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 9.7 tp -31.96 -36.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 47' ' ' PRO . 36.7 tp60 -68.11 88.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.968 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.2 m 61.62 54.92 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.569 ' O ' HG23 ' A' ' 51' ' ' VAL . 17.2 m -57.9 98.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -87.16 -55.8 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -159.02 154.53 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -141.07 -85.16 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 54' ' ' GLY . 3.2 mp0 36.62 41.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -170.76 106.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.8 m -99.64 -54.86 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.62 171.37 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.3 t -95.22 -53.65 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.89 159.11 23.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.67 14.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t -85.94 165.19 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -84.33 -41.69 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.499 -179.996 . . . . . . . . 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 -0.307 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -79.46 45.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -80.05 128.63 33.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.67 -113.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -51.44 113.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 m -89.9 -59.41 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.25 84.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -74.93 153.74 86.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' MET . 54.0 Cg_endo -69.75 -172.69 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.426 ' HE2' ' N ' ' A' ' 18' ' ' LYS . 13.8 mtp -36.82 155.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.2 t -64.75 125.76 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -43.25 -62.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.41 ' NE2' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -57.87 -173.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 8.4 mt-10 -121.59 90.59 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.472 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 3.6 p30 50.12 43.73 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 11.0 mm-40 -100.63 98.49 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLU . 29.1 mttp -32.84 115.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.6 mm -39.94 132.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.83 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -114.77 175.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.514 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 18.4 t80 -124.11 129.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.4 t -79.73 151.35 30.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 25' ' ' THR . 1.9 mp -109.87 -60.66 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.4 m -32.52 -65.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.872 ' SG ' HG22 ' A' ' 28' ' ' VAL . 12.7 p -81.71 -13.91 57.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 67.8 mm-40 64.84 52.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.872 HG22 ' SG ' ' A' ' 26' ' ' CYS . 4.6 m -139.84 129.78 13.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 88.18 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.389 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.407 HG22 ' HB2' ' A' ' 23' ' ' CYS . 6.2 t -115.1 149.68 37.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.41 ' SG ' ' NE2' ' A' ' 14' ' ' HIS . 24.2 p -52.77 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 21' ' ' ILE . 6.2 t -96.25 -40.26 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.555 ' HE1' ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -52.36 -42.6 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -68.06 -9.94 49.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' C ' ' CD ' ' A' ' 35' ' ' LYS . 3.4 tmtt? -95.71 -45.12 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.1 m -83.21 -23.52 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.726 ' CD2' HG23 ' A' ' 36' ' ' VAL . 55.7 m-85 -121.51 -46.15 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 -165.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.506 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -82.78 -14.26 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -71.26 65.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -100.99 -39.26 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.28 31.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 44.5 m -122.55 176.12 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -133.78 104.87 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.632 ' CB ' HD12 ' A' ' 21' ' ' ILE . 28.9 m -89.07 156.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.844 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -130.03 168.22 17.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.844 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.78 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 10.9 tp -31.7 -60.39 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 48' ' ' LEU . 14.4 pt20 -34.26 -48.41 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -133.41 85.31 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 51' ' ' VAL . 95.4 t -89.77 60.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -84.58 -47.29 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -140.29 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.51 111.49 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -126.11 -44.85 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.75 155.63 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.7 p -54.86 141.45 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -50.6 -54.41 22.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.3 p -80.0 157.21 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.85 120.18 4.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 101.53 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.0 p -69.46 96.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 p -113.55 -32.81 6.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.468 -179.986 . . . . . . . . 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 -0.327 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -85.29 152.82 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -170.94 175.44 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.63 -107.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -54.24 125.73 20.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -122.87 158.7 29.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.73 -142.22 5.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -63.01 155.0 74.93 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.589 0.709 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 168.2 22.26 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.605 ' HE3' ' HA ' ' A' ' 18' ' ' LYS . 21.6 mtp -118.09 160.46 21.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -65.31 116.68 6.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -38.14 -45.69 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 mt-10 -64.86 -58.31 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -102.83 104.66 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -88.57 2.32 53.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -93.82 -51.83 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -89.32 139.89 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 0.0 OUTLIER -75.55 164.81 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.39 118.24 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.804 HD12 HG11 ' A' ' 45' ' ' VAL . 27.9 pt -129.23 174.3 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.666 ' HB2' HD13 ' A' ' 48' ' ' LEU . 37.4 t80 -125.64 132.76 52.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.5 t -87.6 138.17 31.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.526 HD12 ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -92.84 -58.16 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' ' SG ' ' A' ' 43' ' ' CYS . 94.9 m -34.97 -69.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.658 ' O ' HG13 ' A' ' 28' ' ' VAL . 6.9 p -81.61 0.69 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 16.0 pt-20 47.01 55.02 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 26' ' ' CYS . 1.4 m -140.14 127.78 12.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -120.35 152.82 37.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -53.38 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.645 ' HA ' HD11 ' A' ' 21' ' ' ILE . 41.5 t -95.78 -24.49 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -38.62 87.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 67.8 m -72.88 -23.92 60.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.824 ' HD3' HG13 ' A' ' 45' ' ' VAL . 2.5 tptm -83.25 -43.6 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.633 HG23 ' CD2' ' A' ' 37' ' ' PHE . 31.8 m -84.12 -27.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CD2' HG23 ' A' ' 36' ' ' VAL . 20.9 m-85 -117.24 -56.23 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' PHE . . . -48.94 -179.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 39' ' ' ILE . 2.8 pp -71.01 -3.93 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -82.11 36.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -82.51 -35.12 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -22.4 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.474 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 54.9 m -67.16 -175.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -141.99 105.01 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.824 HG13 ' HD3' ' A' ' 35' ' ' LYS . 25.5 m -87.84 158.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.857 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -129.49 169.27 13.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.857 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.1 Cg_endo -69.7 88.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.374 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 22' ' ' TYR . 13.7 tp -32.92 -38.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' PRO . 94.7 mt-30 -79.88 105.21 11.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t 70.12 54.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.7 t -63.75 95.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -134.93 -64.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.03 120.63 23.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -102.57 56.39 0.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.481 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 54' ' ' GLY . 9.3 pt20 -34.53 136.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -42.9 118.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.4 m -110.91 -41.27 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 59' ' ' SER . 9.2 tm-20 -87.27 -65.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 58' ' ' GLU . 2.2 t -34.14 -40.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -45.26 126.08 7.28 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -23.78 30.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.622 2.215 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m 39.96 41.09 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.4 p -113.79 -59.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.487 -179.988 . . . . . . . . 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 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -140.19 155.72 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p -57.74 90.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 165.0 -81.9 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 4' ' ' GLY . 39.7 t -35.72 -59.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 110.893 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t 50.49 41.35 25.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.32 -175.95 40.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 52.3 t-80 -53.93 139.28 53.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 8' ' ' HIS . 53.5 Cg_endo -69.76 159.78 52.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.266 . . . . 0.0 112.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.461 ' HE3' ' N ' ' A' ' 17' ' ' GLU . 35.4 mmm -96.14 176.74 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.55 148.37 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -47.91 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -64.89 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.605 ' CE1' ' SG ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -58.39 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -134.97 95.33 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t0 69.75 47.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' N ' ' HE3' ' A' ' 10' ' ' MET . 17.2 mt-10 -117.96 101.35 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' GLU . 32.4 mmtt -33.89 131.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.08 150.01 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -114.39 -45.26 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.621 HD12 ' CB ' ' A' ' 45' ' ' VAL . 38.5 pt -124.17 175.03 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 34.5 t80 -126.44 134.04 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 15.4 t -86.23 150.36 24.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -106.01 -60.34 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.3 m -33.88 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 9.1 p -69.72 -21.31 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 26' ' ' CYS . 25.2 mt-10 70.97 54.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 m -144.35 130.72 10.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 53.7 Cg_endo -69.78 86.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -109.74 147.53 33.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 13.7 p -53.86 175.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.585 ' HA ' HD11 ' A' ' 21' ' ' ILE . 16.4 t -86.47 -37.8 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -46.89 -40.3 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 68.3 m -72.17 -37.07 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.782 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.0 tptm -64.38 -53.48 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.702 HG23 ' CD2' ' A' ' 37' ' ' PHE . 30.0 m -81.64 -34.02 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.702 ' CD2' HG23 ' A' ' 36' ' ' VAL . 4.3 m-85 -129.41 60.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.37 -172.27 35.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.534 HD13 ' N ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -65.84 -23.02 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 82.1 m-70 -73.13 67.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -102.19 -51.36 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.64 34.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.487 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 28.1 m -118.96 -179.79 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.15 104.81 5.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.782 HG13 ' HD3' ' A' ' 35' ' ' LYS . 35.6 m -92.25 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -138.11 160.46 64.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.532 0.682 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.75 103.63 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 22' ' ' TYR . 1.6 mp -33.03 -53.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -42.32 -53.91 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -122.9 83.58 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 48' ' ' LEU . 64.2 t -101.02 -47.05 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' VAL . 1.3 t80 -34.62 -49.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' CD ' ' N ' ' A' ' 54' ' ' GLY . 4.9 pp0? -83.82 -46.31 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' ' CD ' ' A' ' 53' ' ' GLN . . . -50.75 120.92 9.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 28.6 pt20 -109.07 -43.8 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 48.4 mttp -128.2 178.38 6.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.5 t -110.38 -33.47 6.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -112.07 117.52 32.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.2 t -66.17 97.54 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.8 127.7 6.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 106.89 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.2 p -94.71 41.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -41.81 119.65 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.528 -179.996 . . . . . . . . 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 -0.31 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -124.82 126.16 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -163.66 115.28 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.27 161.49 23.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t 66.21 49.24 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.823 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -79.53 45.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.39 -117.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -85.15 141.66 37.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 179.41 3.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.474 ' HE2' ' O ' ' A' ' 14' ' ' HIS . 12.7 ptm -127.0 148.32 50.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -44.61 108.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.3 ptpp? -57.47 -34.1 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 16.2 mm-40 -61.47 -44.86 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.474 ' O ' ' HE2' ' A' ' 10' ' ' MET . 78.3 m80 -106.97 104.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.28 -34.61 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.47 -71.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 18.4 mp0 -53.91 121.32 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -95.02 178.08 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 29' ' ' PRO . 24.6 mm -65.91 108.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -99.16 -38.31 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.645 HD12 ' CB ' ' A' ' 45' ' ' VAL . 43.7 pt -128.38 173.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.734 ' HB2' HD13 ' A' ' 48' ' ' LEU . 26.1 t80 -123.56 132.61 53.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.0 t -82.43 145.33 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -103.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 24' ' ' LEU . 49.8 m -30.15 -69.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.829 ' SG ' HG22 ' A' ' 28' ' ' VAL . 16.5 p -77.52 -19.17 56.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 40.0 mt-10 67.6 54.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.829 HG22 ' SG ' ' A' ' 26' ' ' CYS . 5.8 m -138.5 126.97 14.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.8 Cg_endo -69.74 89.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' CYS . 10.1 t -114.91 153.74 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' THR . 14.8 p -50.33 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 36' ' ' VAL . 5.6 t -94.14 -19.86 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 35' ' ' LYS . 28.9 mmt -67.38 -68.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.3 m -39.22 -25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' MET . 20.3 tptt -75.39 -61.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 32' ' ' SER . 3.4 m -72.86 -42.4 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.6 m-85 -125.89 69.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.94 -126.89 0.85 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.4 7.99 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -101.46 33.53 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -73.41 -37.94 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.24 33.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.114 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.494 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 48.7 m -127.46 -178.05 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -131.6 103.17 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.645 ' CB ' HD12 ' A' ' 21' ' ' ILE . 16.0 m -88.31 149.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.197 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.85 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -128.12 168.83 14.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 111.095 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.85 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.2 Cg_endo -69.77 89.7 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' A' ' 22' ' ' TYR . 18.1 tp -39.25 -36.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -54.61 106.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.6 p 40.01 50.38 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 62.0 t -38.58 98.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -71.24 -65.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -127.76 -52.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.96 65.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.508 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -59.03 148.43 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -73.19 172.96 10.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 t -114.6 -33.17 5.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -144.75 168.63 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.9 p -73.22 -43.99 60.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.12 -171.45 52.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.443 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 t -39.54 -60.64 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.5 m -104.65 44.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.504 179.99 . . . . . . . . 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 1.451 -0.321 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -147.77 152.89 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -80.84 142.04 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.71 158.85 14.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -132.66 42.11 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -71.64 104.39 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.39 157.83 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.523 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -58.07 142.68 79.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.71 67.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.276 . . . . 0.0 112.365 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.432 ' HE1' ' O ' ' A' ' 16' ' ' ASP . 23.1 mtp -107.68 153.12 23.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.78 110.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -53.15 -52.4 58.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -42.69 -46.44 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -85.59 172.69 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -93.25 74.22 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.432 ' O ' ' HE1' ' A' ' 10' ' ' MET . 32.2 m-20 63.34 46.28 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' HE2' ' A' ' 10' ' ' MET . 14.4 tp10 -92.56 122.77 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -46.91 131.7 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 29' ' ' PRO . 49.0 mm -61.92 134.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -104.5 -49.34 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 32' ' ' SER . 48.1 pt -125.69 174.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 30.7 t80 -124.08 138.11 54.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.3 t -91.39 146.96 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -103.28 -61.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.4 m -33.34 -70.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.797 ' SG ' HG22 ' A' ' 28' ' ' VAL . 19.8 p -77.48 -17.52 57.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 66.96 53.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.797 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 m -137.54 127.06 15.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.161 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.57 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.8 Cg_endo -69.74 85.97 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -115.33 157.92 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 p -61.68 -176.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.652 ' HA ' HD11 ' A' ' 21' ' ' ILE . 29.9 t -92.69 -32.68 14.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.461 ' H ' ' CE ' ' A' ' 33' ' ' MET . 0.6 OUTLIER -54.72 -33.35 60.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.6 -24.35 53.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -84.58 -40.23 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.746 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.6 m -94.18 -25.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.746 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.3 m-85 -131.21 42.31 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.87 -161.59 10.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -82.45 -15.93 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -75.48 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.28 -42.4 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.53 33.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.4 m -122.06 173.72 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -129.6 105.29 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CB ' HD12 ' A' ' 21' ' ' ILE . 31.1 m -91.66 152.18 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -125.34 166.83 18.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 111.067 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 87.42 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' A' ' 22' ' ' TYR . 15.4 tp -34.38 -45.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.87 96.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 t 62.9 54.96 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 57.4 t -53.25 95.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -133.45 -64.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -129.5 151.01 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.55 159.55 21.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -93.62 155.28 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.62 132.64 54.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.6 m -87.22 98.79 11.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -110.6 96.12 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -58.16 -44.41 87.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 62' ' ' SER . . . -170.14 -172.21 36.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 13.12 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 60' ' ' GLY . 14.6 m -54.72 -51.34 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -55.16 124.4 16.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.49 -179.998 . . . . . . . . 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 1.45 -0.381 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -111.8 -57.57 2.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -45.26 136.1 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.25 -111.81 0.95 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -105.99 -47.53 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.35 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -103.87 153.66 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.77 89.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -84.24 142.03 40.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 131.72 21.8 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.52 ' CE ' ' N ' ' A' ' 18' ' ' LYS . 15.6 mtp -137.58 149.72 46.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' N ' HD11 ' A' ' 19' ' ' ILE . 11.0 t -66.39 151.4 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -94.54 -48.72 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -48.01 -44.14 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -77.94 175.2 10.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -96.36 67.05 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.63 54.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' C ' ' HE2' ' A' ' 10' ' ' MET . 22.7 tp10 -106.29 123.47 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.52 ' N ' ' CE ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -50.5 157.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 30' ' ' THR . 45.0 mm -91.43 103.88 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -69.2 -58.13 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.991 HD12 HG21 ' A' ' 45' ' ' VAL . 9.6 pt -112.89 166.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.879 ' HB2' HD13 ' A' ' 48' ' ' LEU . 39.0 t80 -117.42 136.45 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.3 t -86.69 137.76 32.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.894 HD21 ' HB2' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -95.72 -55.87 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 96.3 m -36.06 -66.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.716 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.4 p -86.45 1.13 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 9.5 pt-20 46.33 54.93 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.716 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.1 m -138.76 127.28 13.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' ' 19' ' ' ILE . 15.2 t -128.11 159.62 34.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -60.03 -174.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 36' ' ' VAL . 29.2 t -96.74 -39.29 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.479 ' HE1' ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -50.05 -31.64 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.8 m -79.22 -23.71 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.748 ' HD3' HG13 ' A' ' 45' ' ' VAL . 17.8 tptp -85.9 -43.46 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.815 HG23 ' CD2' ' A' ' 37' ' ' PHE . 18.5 m -85.07 -33.36 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.815 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.5 m-85 -133.77 48.41 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.47 177.77 30.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.617 HD13 ' N ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -56.35 -16.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 111.111 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 74.2 m-70 -82.17 66.21 7.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -101.55 -43.77 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.92 30.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.481 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 23.8 m -119.23 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' O ' HD22 ' A' ' 24' ' ' LEU . 13.3 pt-20 -147.32 110.98 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 21' ' ' ILE . 20.9 m -88.3 155.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.894 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -130.01 164.06 43.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.706 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.879 HD13 ' HB2' ' A' ' 22' ' ' TYR . 14.2 tp -33.24 -43.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.79 93.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 t 74.47 53.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 48' ' ' LEU . 51.8 t -59.21 99.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -127.96 -58.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -88.93 127.2 35.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.79 60.24 4.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -66.39 125.48 25.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 3.8 mppt? -85.42 147.11 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -114.28 -16.45 12.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -121.1 128.6 52.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.98 155.54 40.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.66 -171.01 21.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -10.68 29.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.2 t 63.48 40.96 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.5 m -45.51 132.19 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.449 -179.98 . . . . . . . . 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 -0.327 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -84.46 131.33 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.358 . . . . 0.0 110.877 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p 39.98 42.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.36 98.66 0.94 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -92.74 98.68 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -80.68 -52.79 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.82 54.04 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -64.99 160.13 58.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 148.96 66.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 87.6 mmm -132.35 153.9 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' LYS . 33.8 t -72.57 111.36 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' CYS . 36.8 mtmt -37.41 -50.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -63.62 -59.19 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -86.53 90.6 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.35 -46.13 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.73 83.35 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -174.57 113.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.59 121.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' LYS . 44.8 mm -34.19 113.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -88.39 -42.61 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 32' ' ' SER . 24.7 pt -134.96 174.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 33.4 t80 -125.41 132.88 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 11.7 t -82.48 152.26 26.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 44' ' ' GLU . 3.3 mp -110.11 -58.59 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 m -36.59 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.79 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.5 p -69.91 -19.24 63.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 69.44 53.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.79 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.6 m -140.61 130.01 13.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 99.27 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 23' ' ' CYS . 4.2 t -123.45 151.27 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.68 167.38 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.67 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 m -64.23 -47.66 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.471 ' O ' ' C ' ' A' ' 37' ' ' PHE . 24.1 mmt -37.98 -37.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 56.4 m -74.31 -46.82 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.738 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.1 tptp -62.52 -52.74 62.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.693 HG23 ' CD2' ' A' ' 37' ' ' PHE . 34.2 m -78.91 -34.92 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.693 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.7 m-85 -132.28 63.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.48 177.96 42.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.8 pp -61.43 -22.99 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.164 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 39' ' ' ILE . 91.7 m-70 -74.13 68.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -101.62 -49.03 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.5 33.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 30.2 m -115.84 -174.22 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 24' ' ' LEU . 42.4 mt-10 -135.34 114.88 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.738 HG13 ' HD3' ' A' ' 35' ' ' LYS . 27.7 m -104.64 146.32 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -138.5 168.96 13.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.848 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.5 Cg_endo -69.78 106.29 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.658 2.238 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.0 mm? -30.16 -47.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -54.61 -56.41 19.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' PRO . 5.8 t -107.94 88.82 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 48' ' ' LEU . 93.4 t -95.65 104.84 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 45.2 t80 60.36 45.26 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -126.55 -44.63 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.9 -88.0 0.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.0 140.86 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' THR . 10.8 ttpt -142.14 146.29 35.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' LYS . 77.2 m -36.17 143.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -95.11 -56.77 2.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.9 p -41.6 138.9 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.51 124.42 2.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.82 19.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.383 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -153.26 155.97 37.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.7 p -102.03 84.77 2.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.485 179.985 . . . . . . . . 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 -0.313 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -55.61 -49.66 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -75.3 121.05 21.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.58 163.33 13.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -102.22 82.56 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 p -171.0 153.45 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.9 172.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -88.02 134.68 34.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.72 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.02 49.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.73 2.287 . . . . 0.0 112.319 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 mtp -109.22 147.0 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' N ' HD11 ' A' ' 19' ' ' ILE . 44.8 t -48.27 142.58 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -49.68 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.28 -56.3 23.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -66.07 -173.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -135.63 101.1 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 64.08 55.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -126.45 109.5 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -45.29 143.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 11' ' ' CYS . 45.1 mm -77.16 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -92.41 -39.02 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.731 HD12 HG21 ' A' ' 45' ' ' VAL . 11.1 pt -135.06 175.27 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.526 ' CE1' HD12 ' A' ' 24' ' ' LEU . 19.7 t80 -122.83 128.3 50.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.9 t -82.31 149.43 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -107.58 -60.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 66.4 m -31.45 -67.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' SG ' HG22 ' A' ' 28' ' ' VAL . 8.8 p -79.32 -14.93 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.5 mt-10 64.94 53.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.452 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -144.75 127.61 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 111.112 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 53.5 Cg_endo -69.77 83.05 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -104.98 153.33 21.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 p -53.83 -176.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.564 ' O ' HG22 ' A' ' 36' ' ' VAL . 22.7 t -97.58 -36.69 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.5 mmt -50.52 -30.15 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.5 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 55.9 m -79.52 -40.31 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.728 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.6 tptp -64.83 -49.25 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.803 HG23 ' CD2' ' A' ' 37' ' ' PHE . 30.9 m -81.36 -33.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CD2' HG23 ' A' ' 36' ' ' VAL . 8.9 m-85 -134.85 61.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -167.65 -175.03 37.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.8 pp -60.1 -27.53 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.525 ' N ' HD12 ' A' ' 39' ' ' ILE . 91.2 m-70 -70.24 67.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -101.65 -49.37 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 33.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.447 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.9 m -118.87 178.02 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.79 104.9 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.731 HG21 HD12 ' A' ' 21' ' ' ILE . 30.7 m -87.67 156.4 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -142.34 160.57 54.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.765 ' O ' HG23 ' A' ' 51' ' ' VAL . 53.7 Cg_endo -69.76 105.69 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -36.11 -31.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 47' ' ' PRO . 4.3 mm100 -34.88 -54.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -124.49 -72.73 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 47' ' ' PRO . 43.9 t 49.56 51.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -122.49 -47.74 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.22 171.64 13.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 57.12 76.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.444 ' CD ' ' H ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -76.8 134.89 38.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.94 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.93 135.14 18.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.8 m -147.57 149.34 32.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -40.81 118.23 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.0 t -124.57 148.91 47.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 61' ' ' PRO . . . -123.27 104.02 0.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.424 ' HD2' ' HA2' ' A' ' 60' ' ' GLY . 53.7 Cg_endo -69.76 154.03 68.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -104.6 146.58 28.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -132.09 -62.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.465 -179.955 . . . . . . . . 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 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -48.96 -57.94 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -50.83 116.87 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.71 164.5 37.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -117.19 81.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.356 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -132.43 93.29 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.62 -128.0 23.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -134.2 152.06 77.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 179.37 3.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 34.8 mtp -119.39 163.85 16.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -75.94 107.79 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -46.17 -47.06 17.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -50.58 -47.29 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -92.32 155.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.12 -59.57 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 5.7 m-20 -122.0 79.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 13.7 mp0 -153.34 105.42 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.09 152.3 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mm -71.89 114.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.407 ' OD1' ' HB2' ' A' ' 32' ' ' SER . 1.5 p30 -91.55 -39.11 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.648 HD12 ' HB ' ' A' ' 45' ' ' VAL . 47.0 pt -130.71 175.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.6 ' HB2' HD13 ' A' ' 48' ' ' LEU . 15.7 t80 -128.58 137.82 51.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.56 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.4 t -86.35 148.86 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD12 ' CE2' ' A' ' 22' ' ' TYR . 1.1 mp -107.27 -62.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -30.61 -66.8 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.856 ' SG ' HG22 ' A' ' 28' ' ' VAL . 14.2 p -81.23 -13.95 58.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mm-40 64.21 53.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.856 HG22 ' SG ' ' A' ' 26' ' ' CYS . 4.4 m -139.49 127.21 13.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 89.38 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -115.5 156.59 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.7 p -61.9 175.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 21' ' ' ILE . 22.3 t -80.36 -37.97 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -40.18 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HA ' ' HA3' ' A' ' 38' ' ' GLY . 67.7 m -72.9 -27.98 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.677 ' HD3' HG13 ' A' ' 45' ' ' VAL . 2.0 tptm -77.34 -44.98 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.639 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.7 m -82.25 -38.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CD2' HG23 ' A' ' 36' ' ' VAL . 26.9 m-85 -104.02 -57.0 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 34' ' ' CYS . . . -48.07 177.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.497 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.434 HD12 ' C ' ' A' ' 39' ' ' ILE . 2.7 pp -78.95 8.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.401 ' O ' ' HD2' ' A' ' 35' ' ' LYS . 69.1 m-70 -88.01 29.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -76.26 -41.98 47.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -19.77 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -70.99 -177.5 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -129.83 105.32 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.677 HG13 ' HD3' ' A' ' 35' ' ' LYS . 35.3 m -88.41 151.18 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -134.06 160.1 69.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.3 Cg_endo -69.73 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 22' ' ' TYR . 13.0 tp -35.53 -53.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -63.86 94.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t 73.21 47.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.5 t -39.24 -49.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -54.93 129.1 36.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 67.41 43.88 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.29 -161.56 37.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -113.64 165.88 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -99.07 121.89 41.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 t -76.27 142.52 41.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -68.41 91.61 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.1 p -97.15 133.85 41.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.68 -178.4 38.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.4 60.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.9 p -128.81 141.33 51.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 t -90.54 98.19 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.496 -179.955 . . . . . . . . 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 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 p -83.6 110.4 18.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -101.8 115.66 31.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.77 36.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 m -99.43 46.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -90.26 -35.66 15.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.77 -166.52 12.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -68.51 151.75 97.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 119.25 6.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.487 ' HE1' ' O ' ' A' ' 15' ' ' GLU . 13.6 ptm -83.74 168.82 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HB2' HD13 ' A' ' 19' ' ' ILE . 10.3 t -80.86 97.93 7.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -49.26 -44.58 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -46.32 -45.39 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 33' ' ' MET . 64.0 m80 -97.21 179.36 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' O ' ' HE1' ' A' ' 10' ' ' MET . 25.5 mt-10 -106.2 -66.77 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 16' ' ' ASP . 6.2 p-10 -115.64 84.19 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -128.47 -13.67 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 19' ' ' ILE . 2.0 mptm? 34.32 47.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 21' ' ' ILE . 33.6 mm 31.31 54.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.483 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -30.51 -48.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.681 ' O ' HG22 ' A' ' 19' ' ' ILE . 12.3 pt -127.06 174.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.738 ' CE1' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -125.94 137.8 53.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.585 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.5 t -81.2 142.56 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.1 mp -100.29 -63.02 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.9 m -29.39 -76.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.3 p -68.78 -17.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' LEU . 29.6 mt-10 67.83 53.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.59 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.7 m -142.8 130.34 11.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 101.45 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' CYS . 13.0 t -129.91 152.84 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.3 p -60.14 176.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 36' ' ' VAL . 3.4 t -88.34 -28.02 21.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.575 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 7.1 mmt -58.16 -32.47 68.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -80.82 -21.27 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.68 ' HE3' HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -86.62 -54.54 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.785 HG23 ' CD2' ' A' ' 37' ' ' PHE . 34.6 m -83.61 -24.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.785 ' CD2' HG23 ' A' ' 36' ' ' VAL . 10.4 m-85 -134.86 49.8 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.01 -143.72 3.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.6 pp -95.11 -32.46 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.447 ' N ' HD12 ' A' ' 39' ' ' ILE . 88.7 m-70 -65.77 71.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' ILE . 23.3 mmmt -101.29 -39.89 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 33.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 34.1 m -120.77 178.86 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 43' ' ' CYS . 11.2 mm-40 -132.32 112.84 12.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.608 HG21 ' HE2' ' A' ' 35' ' ' LYS . 26.0 m -91.44 156.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -149.26 162.61 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.658 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.77 108.43 2.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.354 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.2 mm? -29.89 -50.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -83.8 128.19 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t 61.23 53.09 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 48' ' ' LEU . 48.3 t -70.76 101.6 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.177 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -133.16 134.28 43.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -47.85 158.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.85 148.95 7.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 58.46 43.51 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -57.81 158.89 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 57' ' ' THR . 15.3 t -150.1 125.55 10.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -155.31 130.22 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 p -66.73 127.91 34.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.63 112.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.3 t -67.6 123.98 21.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.4 t -111.39 88.32 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.499 -179.957 . . . . . . . . 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 1.452 -0.286 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -116.97 -58.8 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -121.86 83.06 2.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.99 178.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -136.97 140.56 42.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.867 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -99.08 143.75 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.74 134.98 9.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -58.32 138.09 84.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 160.44 49.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mtp -103.42 162.74 12.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.416 ' N ' HD11 ' A' ' 19' ' ' ILE . 11.7 t -72.79 112.46 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -38.07 -61.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.71 -48.54 63.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -114.34 83.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -66.06 -41.29 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.406 ' O ' ' CE ' ' A' ' 18' ' ' LYS . 5.2 m-20 -60.72 -47.11 87.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.84 153.86 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -93.4 173.54 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.416 HD11 ' N ' ' A' ' 11' ' ' CYS . 49.8 mm -87.88 106.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -84.7 -43.76 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.685 HD11 ' HA ' ' A' ' 32' ' ' SER . 17.8 pt -118.97 174.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 24' ' ' LEU . 76.2 t80 -133.94 126.54 30.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 17.7 t -80.65 138.9 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 22' ' ' TYR . 2.4 mm? -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.1 m -38.9 -61.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 28' ' ' VAL . 7.9 p -89.81 -9.82 47.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 64.04 53.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.5 m -140.44 131.25 13.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.099 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 96.25 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 23' ' ' CYS . 10.0 t -117.28 165.52 13.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.2 -175.21 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.685 ' HA ' HD11 ' A' ' 21' ' ' ILE . 22.9 m -82.87 -44.41 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -45.51 -38.01 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 66.4 m -75.51 -39.11 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HD2' HG13 ' A' ' 36' ' ' VAL . 8.3 tmtt? -65.1 -54.64 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.1 m -81.8 -35.94 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 4.7 m-85 -124.99 60.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -169.64 179.75 41.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.556 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.6 pp -60.65 -24.37 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' N ' HD12 ' A' ' 39' ' ' ILE . 89.8 m-70 -72.14 66.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -101.02 -49.83 4.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.98 34.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 25.1 m -121.88 178.52 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.88 116.49 17.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.618 HG11 HD12 ' A' ' 21' ' ' ILE . 12.6 m -102.48 138.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.875 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -132.94 170.4 11.5 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.875 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.4 Cg_endo -69.76 110.69 2.62 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 22' ' ' TYR . 3.8 mm? -31.68 -36.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' PRO . 27.1 tp60 -70.56 91.55 0.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.26 54.96 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 51' ' ' VAL . 19.5 m -56.83 96.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -100.74 140.74 34.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -72.5 175.31 6.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.36 46.7 0.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -136.48 158.77 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.959 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -111.22 40.05 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 t -87.94 -38.05 15.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -38.86 -52.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.7 t -175.0 105.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 49.12 -178.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.529 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.248 . . . . 0.0 112.36 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 t -42.16 120.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.1 t -46.88 -56.39 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.466 179.991 . . . . . . . . 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 1.452 -0.286 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -162.04 118.59 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -60.78 143.44 54.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.87 66.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -64.74 151.74 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.781 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -149.08 160.42 43.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.41 175.29 22.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 46.5 p-80 -105.05 104.02 44.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 8' ' ' HIS . 53.5 Cg_endo -69.75 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.1 mtp -52.59 157.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.95 105.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -47.23 -46.77 24.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 30.1 mt-10 -46.22 -52.55 12.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.4 162.25 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.68 -56.27 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.86 80.77 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -123.45 118.25 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -75.41 99.67 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 49.2 mm -33.6 110.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -93.54 -46.26 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.727 HD12 HG21 ' A' ' 45' ' ' VAL . 29.4 pt -124.46 174.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.738 ' CE1' HD12 ' A' ' 24' ' ' LEU . 4.4 t80 -126.51 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.536 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.7 t -83.73 145.8 28.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -103.44 -61.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.4 m -29.67 -66.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.8 ' SG ' HG22 ' A' ' 28' ' ' VAL . 6.8 p -81.56 -16.65 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 24' ' ' LEU . 25.0 mt-10 67.37 54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.8 HG22 ' SG ' ' A' ' 26' ' ' CYS . 9.6 m -141.28 127.49 11.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.24 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ILE . 12.7 t -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -62.73 -177.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.602 ' HA ' HD11 ' A' ' 21' ' ' ILE . 21.0 t -93.04 -32.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -33.26 29.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 69.1 m -79.37 -30.63 42.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.5 tmtt? -75.4 -50.82 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.782 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.4 m -81.42 -31.58 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.782 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.0 m-85 -133.48 58.1 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -166.49 178.64 40.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -53.56 -31.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.486 ' N ' HD12 ' A' ' 39' ' ' ILE . 92.3 m-70 -68.8 69.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -100.93 -50.19 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.83 33.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.491 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 22.5 m -118.51 179.87 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -141.82 109.41 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 HD12 ' A' ' 21' ' ' ILE . 14.4 m -87.43 159.97 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -142.52 158.77 59.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.2 Cg_endo -69.75 103.75 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.4 mm? -27.89 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' PRO . 31.2 tt0 -53.33 -62.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.4 m -107.51 83.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' PHE . 92.9 t -105.65 -47.78 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' VAL . 34.6 m-85 -35.46 -46.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -121.27 92.92 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.32 179.98 15.95 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.81 150.16 48.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.91 142.31 36.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 t -117.21 39.88 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -105.07 92.34 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -124.61 155.71 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.75 -115.32 2.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.87 3.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.281 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 t -49.11 -44.42 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.5 m -47.77 -53.61 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.504 179.987 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -117.54 85.46 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -81.72 123.44 28.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.37 -50.37 2.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -41.05 -44.91 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 p -42.29 122.12 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.5 -134.81 8.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -138.36 154.3 73.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 137.99 36.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.369 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.7 mtp -71.77 164.38 26.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' N ' HD11 ' A' ' 19' ' ' ILE . 45.0 t -46.81 156.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.9 -44.13 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -55.64 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -86.89 163.49 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 12.5 pt-20 -126.54 -42.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 m-20 -74.08 -47.79 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.73 143.61 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -95.79 172.62 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 11' ' ' CYS . 47.4 mm -76.07 117.41 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -95.41 -41.05 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.875 HD12 ' CB ' ' A' ' 45' ' ' VAL . 44.7 pt -134.23 174.32 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.61 ' CE1' HD12 ' A' ' 24' ' ' LEU . 4.3 t80 -123.94 133.86 53.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.4 t -81.88 142.83 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.61 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -98.93 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -32.56 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.4 p -73.15 -11.89 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 mt-10 61.22 54.65 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.3 m -140.13 127.95 12.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 92.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.6 t -119.01 155.28 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.7 p -55.27 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.429 ' HB3' ' CE ' ' A' ' 33' ' ' MET . 5.2 t -100.23 -35.53 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.429 ' CE ' ' HB3' ' A' ' 32' ' ' SER . 25.7 mmt -51.33 -31.63 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLY . 48.1 m -75.48 -41.03 56.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.814 HG23 ' CD2' ' A' ' 37' ' ' PHE . 33.4 m -80.69 -33.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.814 ' CD2' HG23 ' A' ' 36' ' ' VAL . 9.1 m-85 -135.03 62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -165.3 -163.94 19.66 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -84.06 9.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -107.05 54.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -93.56 -44.2 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.14 32.59 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.542 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 31.1 m -121.57 -175.94 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 24' ' ' LEU . 14.1 mt-10 -136.52 100.92 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.875 ' CB ' HD12 ' A' ' 21' ' ' ILE . 35.7 m -92.34 148.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.841 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -113.91 168.87 7.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.556 0.693 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.841 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 16.67 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 22' ' ' TYR . 23.9 tp 41.73 54.97 3.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.488 ' O ' ' C ' ' A' ' 50' ' ' SER . 17.0 tt0 -140.58 112.87 7.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 49' ' ' GLN . 70.5 m 31.38 47.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 51' ' ' VAL . 16.5 m -70.4 84.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -77.33 -53.3 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' GLY . 4.7 tp-100 -111.06 39.82 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLN . . . 37.34 80.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -57.13 151.52 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.93 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -94.83 138.56 32.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.6 p -50.2 130.07 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -97.92 82.1 2.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 t -156.42 161.07 40.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 40.92 -159.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -173.82 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -116.45 42.36 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.0 t -80.57 89.08 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.5 179.976 . . . . . . . . 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 -0.294 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -59.59 104.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m 61.81 44.14 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.67 97.9 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 p -112.2 45.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -62.06 153.14 30.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.99 126.96 2.88 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.653 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 t-160 -65.09 -51.41 55.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 8' ' ' HIS . 54.0 Cg_endo -69.73 124.95 11.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mmt -146.78 146.82 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.27 144.28 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.01 22.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.46 -36.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 17' ' ' GLU . 63.4 m80 -108.69 174.92 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 16' ' ' ASP . 3.0 pp20? -116.21 -48.42 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.445 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 14.2 m-20 -93.61 -33.31 13.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 14' ' ' HIS . 31.1 mm-40 -65.17 105.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -75.01 165.9 24.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 29' ' ' PRO . 49.4 mm -66.92 127.8 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -113.86 -45.3 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 32' ' ' SER . 43.8 pt -119.66 172.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 31.6 t80 -124.43 133.05 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.557 ' HB2' HG22 ' A' ' 30' ' ' THR . 9.1 t -85.14 149.36 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -105.02 -61.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.0 m -33.62 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.8 p -73.68 -14.24 61.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 63.24 54.23 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.492 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.4 m -140.56 131.51 13.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.578 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.7 Cg_endo -69.78 81.87 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 23' ' ' CYS . 10.0 t -108.32 153.53 23.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -63.21 179.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.751 ' HA ' HD11 ' A' ' 21' ' ' ILE . 4.9 t -84.04 -41.01 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.426 ' H ' ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -47.18 -39.59 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 52.5 m -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 1.4 tmmt? -77.61 -49.2 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' CG ' ' A' ' 37' ' ' PHE . 20.7 m -76.58 -39.55 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CG ' HG23 ' A' ' 36' ' ' VAL . 26.6 m-85 -104.17 -56.96 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -47.49 178.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.3 1.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.354 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.86 52.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -91.89 -41.63 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.8 32.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.505 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.7 m -120.72 -175.11 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -138.84 107.5 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.536 ' CB ' HD12 ' A' ' 21' ' ' ILE . 27.5 m -97.72 146.48 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.749 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -120.88 165.35 19.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.749 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.76 91.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 9.5 tp -34.94 -36.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 47' ' ' PRO . 2.8 mp0 -58.71 86.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.9 m 62.89 48.92 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 79.4 t -38.54 102.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -103.07 -63.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.82 -61.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.44 127.83 3.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -101.66 141.3 34.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -73.18 126.97 31.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -74.59 131.77 41.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -146.33 110.94 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.3 p -64.18 -55.04 24.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.3 112.4 3.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.6 p -81.33 44.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -104.48 99.76 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.506 -179.982 . . . . . . . . 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 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -54.94 112.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -116.41 107.34 14.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.69 47.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -155.32 107.09 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -161.4 147.2 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.03 -106.18 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -173.62 134.05 0.62 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 166.98 25.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 11' ' ' CYS . 4.1 ppp? -91.17 153.74 19.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.432 ' O ' ' SD ' ' A' ' 10' ' ' MET . 11.6 t -51.63 98.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 14.7 pttm -45.16 -37.82 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 8.7 tp10 -52.79 -44.47 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 17' ' ' GLU . 32.8 m80 -99.49 155.58 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -100.43 -49.38 4.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -111.76 43.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 14' ' ' HIS . 10.1 tp10 -133.97 91.72 2.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -64.56 139.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mm -40.14 112.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -95.86 -43.05 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.769 HD12 HG11 ' A' ' 45' ' ' VAL . 32.5 pt -127.6 175.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.782 ' HB2' HD13 ' A' ' 48' ' ' LEU . 13.2 t80 -132.06 130.07 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.3 t -81.87 146.09 30.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -104.79 -61.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.2 m -30.62 -67.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.813 ' SG ' HG22 ' A' ' 28' ' ' VAL . 11.8 p -79.85 -12.95 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 45.3 mt-10 63.46 53.79 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.813 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.7 m -141.91 128.78 11.31 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 101.55 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -126.33 150.24 48.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 14.3 p -63.17 178.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m -82.85 -34.09 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -54.91 -35.51 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.98 -23.7 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HE2' HG13 ' A' ' 36' ' ' VAL . 13.4 ttpt -83.51 -41.29 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.554 HG13 ' HE2' ' A' ' 35' ' ' LYS . 19.2 m -97.72 -36.39 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CG ' HG23 ' A' ' 36' ' ' VAL . 20.7 m-85 -116.01 41.45 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 -123.61 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.436 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -133.82 7.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.16 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -101.08 54.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -95.6 -40.0 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.33 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.49 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m -70.07 -174.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 11.9 pt-20 -136.91 107.46 6.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.769 HG11 HD12 ' A' ' 21' ' ' ILE . 34.2 m -86.96 153.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.727 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -131.81 164.63 41.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.3 Cg_endo -69.75 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 22' ' ' TYR . 14.5 tp -32.29 -60.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' LEU . 13.4 mm-40 -36.2 -54.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 m -128.41 80.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 51' ' ' VAL . 58.9 t -72.99 64.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -118.88 -44.76 2.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -144.35 159.31 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.21 72.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.17 -54.61 4.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -71.13 155.11 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 59' ' ' SER . 79.5 m -145.11 135.8 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -40.71 -46.98 2.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' GLY . 58.3 p -85.12 158.45 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' SER . . . -34.73 103.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' HA2' ' A' ' 60' ' ' GLY . 53.1 Cg_endo -69.78 104.52 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.2 t -46.29 141.0 3.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -97.75 -43.79 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.512 -179.959 . . . . . . . . 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 ' 10' ' ' MET . . . . . . . . . . . . . 56.7 mtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.561 ' N ' HD11 ' A' ' 19' ' ' ILE . 12.6 t -48.42 133.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -64.37 -46.66 82.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.13 -56.69 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -96.49 94.55 7.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.441 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -49.52 -42.31 43.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 2.8 p30 -110.75 80.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -158.19 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.23 118.6 8.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.561 HD11 ' N ' ' A' ' 11' ' ' CYS . 47.5 mm -51.05 131.73 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -106.09 -46.29 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.64 HD11 ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -119.82 173.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.619 ' HB2' HD13 ' A' ' 48' ' ' LEU . 22.7 t80 -128.35 129.57 46.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.519 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.9 t -80.87 151.15 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -108.26 -61.03 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LEU . 51.5 m -33.05 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 28' ' ' VAL . 11.8 p -75.3 -21.21 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 70.77 53.48 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.456 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.4 m -140.33 129.07 13.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 88.54 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -111.32 163.35 14.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -68.62 -176.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.692 ' O ' HG22 ' A' ' 36' ' ' VAL . 1.3 t -92.91 -32.87 14.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.426 ' CE ' ' H ' ' A' ' 33' ' ' MET . 0.5 OUTLIER -56.81 -30.52 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.4 m -80.04 -21.44 43.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 13.6 tmtt? -87.71 -37.18 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 32' ' ' SER . 15.2 m -96.55 -28.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.665 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.6 m-85 -128.71 43.03 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 -150.4 5.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.699 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -95.16 -17.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.363 . . . . 0.0 111.143 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -74.7 58.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -98.74 -46.63 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.42 63.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.491 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 37.3 m -65.59 -178.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -131.94 101.57 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.24 149.59 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -128.66 166.04 27.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.568 0.699 . . . . 0.0 111.091 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.76 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' A' ' 22' ' ' TYR . 19.2 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 ptm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.843 0.354 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -55.2 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -48.28 -45.98 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -95.13 151.76 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 8.0 pt-20 -97.08 -38.66 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 4.2 m-20 -105.02 -49.29 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.0 92.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -73.3 -178.73 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 30' ' ' THR . 32.0 mm -71.37 122.55 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -111.55 -37.45 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.729 HD12 HG11 ' A' ' 45' ' ' VAL . 32.8 pt -126.73 175.12 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.526 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 24.0 t80 -124.7 130.73 52.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.477 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.6 t -82.08 146.85 29.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -104.71 -61.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -31.71 -65.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.682 ' SG ' HG22 ' A' ' 28' ' ' VAL . 19.7 p -84.86 -14.71 47.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 64.53 52.02 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.682 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.3 m -136.93 124.29 14.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.69 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.491 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 12.3 t -116.47 157.42 25.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 p -57.04 171.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -87.1 8.01 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.54 -38.67 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.461 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 61.6 m -68.53 -34.68 76.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HD3' HG13 ' A' ' 45' ' ' VAL . 27.2 tptp -62.09 -62.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.3 m -77.37 -34.04 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.8 m-85 -125.58 62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -174.76 172.96 45.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -50.71 -27.28 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.452 ' N ' HD12 ' A' ' 39' ' ' ILE . 92.4 m-70 -72.64 66.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -100.7 -47.02 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.31 34.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 35.2 m -119.83 176.35 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -136.81 109.16 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.729 HG11 HD12 ' A' ' 21' ' ' ILE . 27.0 m -87.72 155.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.872 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -124.42 169.27 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 111.089 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.872 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.74 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 11.2 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 61.1 mmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.91 135.67 57.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -51.8 -41.43 61.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.41 -48.94 15.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.482 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 15.3 m80 -104.54 121.58 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -91.22 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.27 -45.17 9.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.61 118.07 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.4 mmmm -68.35 148.38 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.21 121.08 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -94.47 -46.32 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.669 HD12 HG11 ' A' ' 45' ' ' VAL . 28.4 pt -125.02 175.08 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 28.4 t80 -125.73 137.42 53.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.8 t -88.85 147.63 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.451 HD12 ' CE2' ' A' ' 22' ' ' TYR . 1.6 mp -104.05 -62.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 48.9 m -32.62 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.884 ' SG ' HG22 ' A' ' 28' ' ' VAL . 22.8 p -73.61 -13.9 61.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.0 52.71 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.884 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 m -138.64 128.1 14.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -121.03 157.85 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.482 ' HG ' ' CE1' ' A' ' 14' ' ' HIS . 18.2 p -61.98 172.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' HD11 ' A' ' 21' ' ' ILE . 17.0 p -91.7 7.35 42.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 mmt -93.99 -33.95 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 38' ' ' GLY . 57.9 m -71.89 -43.83 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -54.56 -58.15 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.2 m -77.56 -37.86 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.4 m-85 -127.06 67.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -168.96 -139.32 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.728 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -105.8 -24.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.12 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -69.33 69.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -101.18 -49.5 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.91 34.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 29.7 m -120.53 -174.91 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' O ' HD13 ' A' ' 24' ' ' LEU . 7.5 mt-10 -138.51 106.95 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.669 HG11 HD12 ' A' ' 21' ' ' ILE . 10.5 m -89.64 149.61 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -139.53 162.15 52.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.75 109.96 2.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.2 mm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.484 ' HE2' ' C ' ' A' ' 17' ' ' GLU . 77.6 mtp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.769 0.319 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.0 t -51.13 128.85 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -59.54 -46.16 89.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.18 -53.61 33.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -87.95 165.29 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.54 -44.67 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -118.37 47.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.484 ' C ' ' HE2' ' A' ' 10' ' ' MET . 26.8 tp10 -129.45 98.6 4.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -58.53 157.63 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 29' ' ' PRO . 31.2 mm -70.23 128.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.7 -46.22 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.441 HD12 HG11 ' A' ' 45' ' ' VAL . 24.2 pt -122.1 174.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.616 ' HB2' HD13 ' A' ' 48' ' ' LEU . 21.5 t80 -127.53 131.22 50.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.1 t -84.96 141.5 30.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.2 mp -97.32 -64.17 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.6 m -29.9 -72.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.865 ' SG ' HG22 ' A' ' 28' ' ' VAL . 18.1 p -75.91 -15.91 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.5 mt-10 64.18 54.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.865 HG22 ' SG ' ' A' ' 26' ' ' CYS . 5.7 m -138.51 125.12 12.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.638 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.7 Cg_endo -69.74 91.74 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -112.16 165.06 12.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -64.14 173.22 2.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.415 ' OG ' ' HE2' ' A' ' 33' ' ' MET . 30.0 p -96.28 8.0 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.415 ' HE2' ' OG ' ' A' ' 32' ' ' SER . 33.2 mmt -96.24 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -76.48 -37.89 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.673 ' HD2' HG13 ' A' ' 36' ' ' VAL . 2.4 tmtm? -58.98 -60.23 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 26.9 m -76.17 -35.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 3.8 m-85 -132.09 71.5 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.09 -116.75 0.38 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -128.17 -29.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.457 ' N ' HD12 ' A' ' 39' ' ' ILE . 95.8 m-70 -69.35 69.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -99.65 -44.66 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.17 32.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -120.47 178.35 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -130.37 109.15 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 21' ' ' ILE . 16.9 m -94.66 145.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -123.53 168.48 12.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.102 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.78 91.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 22' ' ' TYR . 19.0 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.518 ' HE1' ' O ' ' A' ' 16' ' ' ASP . 40.8 mtp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.9 t -70.49 131.58 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -48.44 -40.8 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -85.0 -50.16 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -99.0 94.15 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -88.79 11.95 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.518 ' O ' ' HE1' ' A' ' 10' ' ' MET . 0.8 OUTLIER -107.66 -54.99 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.29 139.04 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' HE3' ' A' ' 10' ' ' MET . 0.1 OUTLIER -65.68 165.17 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.41 HD11 ' C ' ' A' ' 10' ' ' MET . 29.8 mm -69.45 110.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -77.42 -50.9 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.728 HD12 ' CB ' ' A' ' 45' ' ' VAL . 27.9 pt -132.76 175.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.639 ' CE1' HD12 ' A' ' 24' ' ' LEU . 7.4 t80 -121.65 134.08 54.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.1 t -83.67 141.71 31.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.639 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -98.31 -58.17 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 89.5 m -35.55 -67.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.832 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.7 p -83.47 0.69 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 13.1 pt-20 47.49 54.85 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.832 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.6 m -136.43 125.02 15.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.89 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -112.07 153.28 27.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.7 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -96.04 -28.1 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -36.98 70.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.518 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 63.4 m -71.45 -22.21 61.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.3 tptp -86.76 -55.68 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.5 m -60.77 -30.48 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 36' ' ' VAL . 9.1 m-85 -125.98 -58.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -39.33 164.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -56.15 -12.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 80.4 m-70 -74.91 45.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -90.94 -42.19 10.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -25.36 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.46 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 50.0 m -65.04 -177.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -134.69 101.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.728 ' CB ' HD12 ' A' ' 21' ' ' ILE . 19.7 m -87.56 154.89 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.876 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -133.05 169.64 13.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.876 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.3 Cg_endo -69.76 95.06 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 9.7 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.426 ' HE2' ' N ' ' A' ' 18' ' ' LYS . 13.8 mtp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.2 t -64.75 125.76 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -43.25 -62.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.602 ' CE1' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -57.87 -173.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 8.4 mt-10 -121.59 90.59 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.472 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 3.6 p30 50.12 43.73 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 11.0 mm-40 -100.63 98.49 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLU . 29.1 mttp -32.84 115.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.6 mm -39.94 132.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.83 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -114.77 175.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.514 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 18.4 t80 -124.11 129.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.4 t -79.73 151.35 30.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 25' ' ' THR . 1.9 mp -109.87 -60.66 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.4 m -32.52 -65.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.872 ' SG ' HG22 ' A' ' 28' ' ' VAL . 12.7 p -81.71 -13.91 57.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 67.8 mm-40 64.84 52.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.872 HG22 ' SG ' ' A' ' 26' ' ' CYS . 4.6 m -139.84 129.78 13.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 88.18 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.389 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.407 HG22 ' HB2' ' A' ' 23' ' ' CYS . 6.2 t -115.1 149.68 37.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 24.2 p -52.77 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 21' ' ' ILE . 6.2 t -96.25 -40.26 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.555 ' HE1' ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -52.36 -42.6 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -68.06 -9.94 49.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' C ' ' CD ' ' A' ' 35' ' ' LYS . 3.4 tmtt? -95.71 -45.12 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.1 m -83.21 -23.52 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.726 ' CD2' HG23 ' A' ' 36' ' ' VAL . 55.7 m-85 -121.51 -46.15 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 -165.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.506 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -82.78 -14.26 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -71.26 65.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -100.99 -39.26 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.28 31.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 44.5 m -122.55 176.12 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -133.78 104.87 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.632 ' CB ' HD12 ' A' ' 21' ' ' ILE . 28.9 m -89.07 156.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.844 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -130.03 168.22 17.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.844 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.78 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 10.9 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.605 ' HE3' ' HA ' ' A' ' 18' ' ' LYS . 21.6 mtp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.768 0.318 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -65.31 116.68 6.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -38.14 -45.69 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 mt-10 -64.86 -58.31 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -102.83 104.66 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -88.57 2.32 53.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -93.82 -51.83 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -89.32 139.89 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 0.0 OUTLIER -75.55 164.81 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.39 118.24 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.804 HD12 HG11 ' A' ' 45' ' ' VAL . 27.9 pt -129.23 174.3 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.666 ' HB2' HD13 ' A' ' 48' ' ' LEU . 37.4 t80 -125.64 132.76 52.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.5 t -87.6 138.17 31.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.526 HD12 ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -92.84 -58.16 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' ' SG ' ' A' ' 43' ' ' CYS . 94.9 m -34.97 -69.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.658 ' O ' HG13 ' A' ' 28' ' ' VAL . 6.9 p -81.61 0.69 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 16.0 pt-20 47.01 55.02 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 26' ' ' CYS . 1.4 m -140.14 127.78 12.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -120.35 152.82 37.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -53.38 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.645 ' HA ' HD11 ' A' ' 21' ' ' ILE . 41.5 t -95.78 -24.49 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -38.62 87.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 67.8 m -72.88 -23.92 60.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.824 ' HD3' HG13 ' A' ' 45' ' ' VAL . 2.5 tptm -83.25 -43.6 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.633 HG23 ' CD2' ' A' ' 37' ' ' PHE . 31.8 m -84.12 -27.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CD2' HG23 ' A' ' 36' ' ' VAL . 20.9 m-85 -117.24 -56.23 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' PHE . . . -48.94 -179.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' C ' HD12 ' A' ' 39' ' ' ILE . 2.8 pp -71.01 -3.93 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -82.11 36.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -82.51 -35.12 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -22.4 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.474 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 54.9 m -67.16 -175.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -141.99 105.01 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.824 HG13 ' HD3' ' A' ' 35' ' ' LYS . 25.5 m -87.84 158.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.857 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -129.49 169.27 13.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.857 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.1 Cg_endo -69.7 88.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.374 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 22' ' ' TYR . 13.7 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.461 ' HE3' ' N ' ' A' ' 17' ' ' GLU . 35.4 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.55 148.37 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -47.91 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -64.89 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.627 ' CE1' ' HG ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -58.39 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -134.97 95.33 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t0 69.75 47.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' N ' ' HE3' ' A' ' 10' ' ' MET . 17.2 mt-10 -117.96 101.35 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' GLU . 32.4 mmtt -33.89 131.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.08 150.01 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -114.39 -45.26 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.621 HD12 ' CB ' ' A' ' 45' ' ' VAL . 38.5 pt -124.17 175.03 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 34.5 t80 -126.44 134.04 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 15.4 t -86.23 150.36 24.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -106.01 -60.34 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.3 m -33.88 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' HG ' ' HG ' ' A' ' 23' ' ' CYS . 9.1 p -69.72 -21.31 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 26' ' ' CYS . 25.2 mt-10 70.97 54.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 m -144.35 130.72 10.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 53.7 Cg_endo -69.78 86.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -109.74 147.53 33.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.627 ' HG ' ' CE1' ' A' ' 14' ' ' HIS . 13.7 p -53.86 175.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.585 ' HA ' HD11 ' A' ' 21' ' ' ILE . 16.4 t -86.47 -37.8 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -46.89 -40.3 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 68.3 m -72.17 -37.07 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.782 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.0 tptm -64.38 -53.48 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.702 HG23 ' CD2' ' A' ' 37' ' ' PHE . 30.0 m -81.64 -34.02 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.702 ' CD2' HG23 ' A' ' 36' ' ' VAL . 4.3 m-85 -129.41 60.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.37 -172.27 35.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.534 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -65.84 -23.02 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 82.1 m-70 -73.13 67.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -102.19 -51.36 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.64 34.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.492 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 28.1 m -118.96 -179.79 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.15 104.81 5.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.782 HG13 ' HD3' ' A' ' 35' ' ' LYS . 35.6 m -92.25 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -138.11 160.46 64.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.532 0.682 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.75 103.63 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 22' ' ' TYR . 1.6 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.474 ' HE2' ' O ' ' A' ' 14' ' ' HIS . 12.7 ptm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -44.61 108.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.3 ptpp? -57.47 -34.1 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 16.2 mm-40 -61.47 -44.86 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.474 ' O ' ' HE2' ' A' ' 10' ' ' MET . 78.3 m80 -106.97 104.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.28 -34.61 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.47 -71.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 18.4 mp0 -53.91 121.32 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -95.02 178.08 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 29' ' ' PRO . 24.6 mm -65.91 108.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -99.16 -38.31 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.645 HD12 ' CB ' ' A' ' 45' ' ' VAL . 43.7 pt -128.38 173.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.734 ' HB2' HD13 ' A' ' 48' ' ' LEU . 26.1 t80 -123.56 132.61 53.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.0 t -82.43 145.33 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -103.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 24' ' ' LEU . 49.8 m -30.15 -69.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.829 ' SG ' HG22 ' A' ' 28' ' ' VAL . 16.5 p -77.52 -19.17 56.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 40.0 mt-10 67.6 54.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.829 HG22 ' SG ' ' A' ' 26' ' ' CYS . 5.8 m -138.5 126.97 14.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.8 Cg_endo -69.74 89.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' CYS . 10.1 t -114.91 153.74 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' THR . 14.8 p -50.33 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 36' ' ' VAL . 5.6 t -94.14 -19.86 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 35' ' ' LYS . 28.9 mmt -67.38 -68.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.3 m -39.22 -25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' MET . 20.3 tptt -75.39 -61.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 32' ' ' SER . 3.4 m -72.86 -42.4 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.6 m-85 -125.89 69.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.94 -126.89 0.85 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.4 7.99 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -101.46 33.53 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -73.41 -37.94 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.24 33.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.114 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.497 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 48.7 m -127.46 -178.05 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -131.6 103.17 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.645 ' CB ' HD12 ' A' ' 21' ' ' ILE . 16.0 m -88.31 149.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.197 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.85 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -128.12 168.83 14.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 111.095 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.85 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.2 Cg_endo -69.77 89.7 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' A' ' 22' ' ' TYR . 18.1 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.432 ' HE1' ' O ' ' A' ' 16' ' ' ASP . 23.1 mtp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.78 110.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -53.15 -52.4 58.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.451 ' OE1' ' C ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -42.69 -46.44 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -85.59 172.69 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -93.25 74.22 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.432 ' O ' ' HE1' ' A' ' 10' ' ' MET . 32.2 m-20 63.34 46.28 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' HE2' ' A' ' 10' ' ' MET . 14.4 tp10 -92.56 122.77 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -46.91 131.7 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 29' ' ' PRO . 49.0 mm -61.92 134.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -104.5 -49.34 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 32' ' ' SER . 48.1 pt -125.69 174.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 30.7 t80 -124.08 138.11 54.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.3 t -91.39 146.96 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -103.28 -61.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.4 m -33.34 -70.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.797 ' SG ' HG22 ' A' ' 28' ' ' VAL . 19.8 p -77.48 -17.52 57.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 66.96 53.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.797 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 m -137.54 127.06 15.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.161 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.57 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.8 Cg_endo -69.74 85.97 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -115.33 157.92 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 p -61.68 -176.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.652 ' HA ' HD11 ' A' ' 21' ' ' ILE . 29.9 t -92.69 -32.68 14.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.461 ' CE ' ' H ' ' A' ' 33' ' ' MET . 0.6 OUTLIER -54.72 -33.35 60.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.6 -24.35 53.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -84.58 -40.23 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.746 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.6 m -94.18 -25.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.746 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.3 m-85 -131.21 42.31 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.87 -161.59 10.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -82.45 -15.93 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -75.48 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.28 -42.4 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.53 33.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.4 m -122.06 173.72 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -129.6 105.29 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CB ' HD12 ' A' ' 21' ' ' ILE . 31.1 m -91.66 152.18 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -125.34 166.83 18.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 111.067 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 87.42 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' A' ' 22' ' ' TYR . 15.4 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.52 ' CE ' ' N ' ' A' ' 18' ' ' LYS . 15.6 mtp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' N ' HD11 ' A' ' 19' ' ' ILE . 11.0 t -66.39 151.4 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -94.54 -48.72 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -48.01 -44.14 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.538 ' CE1' ' SG ' ' A' ' 31' ' ' CYS . 11.3 m80 -77.94 175.2 10.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -96.36 67.05 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.63 54.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' C ' ' HE2' ' A' ' 10' ' ' MET . 22.7 tp10 -106.29 123.47 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.52 ' N ' ' CE ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -50.5 157.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 30' ' ' THR . 45.0 mm -91.43 103.88 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -69.2 -58.13 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.991 HD12 HG21 ' A' ' 45' ' ' VAL . 9.6 pt -112.89 166.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.879 ' HB2' HD13 ' A' ' 48' ' ' LEU . 39.0 t80 -117.42 136.45 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.3 t -86.69 137.76 32.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.894 HD21 ' HB2' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -95.72 -55.87 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 96.3 m -36.06 -66.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.716 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.4 p -86.45 1.13 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 9.5 pt-20 46.33 54.93 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.716 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.1 m -138.76 127.28 13.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' ' 19' ' ' ILE . 15.2 t -128.11 159.62 34.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.538 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 14.1 p -60.03 -174.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 36' ' ' VAL . 29.2 t -96.74 -39.29 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.479 ' HE1' ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -50.05 -31.64 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.8 m -79.22 -23.71 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.748 ' HD3' HG13 ' A' ' 45' ' ' VAL . 17.8 tptp -85.9 -43.46 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.815 HG23 ' CD2' ' A' ' 37' ' ' PHE . 18.5 m -85.07 -33.36 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.815 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.5 m-85 -133.77 48.41 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.47 177.77 30.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.617 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -56.35 -16.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 111.111 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 74.2 m-70 -82.17 66.21 7.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -101.55 -43.77 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.92 30.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 23.8 m -119.23 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' O ' HD22 ' A' ' 24' ' ' LEU . 13.3 pt-20 -147.32 110.98 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 21' ' ' ILE . 20.9 m -88.3 155.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.894 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -130.01 164.06 43.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.706 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.879 HD13 ' HB2' ' A' ' 22' ' ' TYR . 14.2 tp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 87.6 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' LYS . 33.8 t -72.57 111.36 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' CYS . 36.8 mtmt -37.41 -50.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -63.62 -59.19 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -86.53 90.6 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.35 -46.13 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.73 83.35 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -174.57 113.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.59 121.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' LYS . 44.8 mm -34.19 113.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -88.39 -42.61 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 32' ' ' SER . 24.7 pt -134.96 174.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 33.4 t80 -125.41 132.88 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 11.7 t -82.48 152.26 26.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 44' ' ' GLU . 3.3 mp -110.11 -58.59 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 m -36.59 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.79 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.5 p -69.91 -19.24 63.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 69.44 53.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.79 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.6 m -140.61 130.01 13.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 99.27 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 23' ' ' CYS . 4.2 t -123.45 151.27 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.68 167.38 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.67 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 m -64.23 -47.66 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.471 ' O ' ' C ' ' A' ' 37' ' ' PHE . 24.1 mmt -37.98 -37.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.473 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 56.4 m -74.31 -46.82 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.738 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.1 tptp -62.52 -52.74 62.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.693 HG23 ' CD2' ' A' ' 37' ' ' PHE . 34.2 m -78.91 -34.92 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.693 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.7 m-85 -132.28 63.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.48 177.96 42.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.8 pp -61.43 -22.99 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.164 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 39' ' ' ILE . 91.7 m-70 -74.13 68.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -101.62 -49.03 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.5 33.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 30.2 m -115.84 -174.22 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 24' ' ' LEU . 42.4 mt-10 -135.34 114.88 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.738 HG13 ' HD3' ' A' ' 35' ' ' LYS . 27.7 m -104.64 146.32 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -138.5 168.96 13.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.848 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.5 Cg_endo -69.78 106.29 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.658 2.238 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.0 mm? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 mtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.463 ' N ' HD11 ' A' ' 19' ' ' ILE . 44.8 t -48.27 142.58 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -49.68 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.28 -56.3 23.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -66.07 -173.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -135.63 101.1 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 64.08 55.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -126.45 109.5 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -45.29 143.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 11' ' ' CYS . 45.1 mm -77.16 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -92.41 -39.02 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.731 HD12 HG21 ' A' ' 45' ' ' VAL . 11.1 pt -135.06 175.27 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.526 ' CE1' HD12 ' A' ' 24' ' ' LEU . 19.7 t80 -122.83 128.3 50.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.9 t -82.31 149.43 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -107.58 -60.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 66.4 m -31.45 -67.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' SG ' HG22 ' A' ' 28' ' ' VAL . 8.8 p -79.32 -14.93 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.5 mt-10 64.94 53.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.452 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -144.75 127.61 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 111.112 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 53.5 Cg_endo -69.77 83.05 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -104.98 153.33 21.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 p -53.83 -176.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.564 ' O ' HG22 ' A' ' 36' ' ' VAL . 22.7 t -97.58 -36.69 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.5 mmt -50.52 -30.15 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 55.9 m -79.52 -40.31 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.728 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.6 tptp -64.83 -49.25 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.803 HG23 ' CD2' ' A' ' 37' ' ' PHE . 30.9 m -81.36 -33.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CD2' HG23 ' A' ' 36' ' ' VAL . 8.9 m-85 -134.85 61.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -167.65 -175.03 37.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.8 pp -60.1 -27.53 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.525 ' N ' HD12 ' A' ' 39' ' ' ILE . 91.2 m-70 -70.24 67.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -101.65 -49.37 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 33.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.9 m -118.87 178.02 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.79 104.9 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.731 HG21 HD12 ' A' ' 21' ' ' ILE . 30.7 m -87.67 156.4 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -142.34 160.57 54.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.76 105.69 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 34.8 mtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -75.94 107.79 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -46.17 -47.06 17.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -50.58 -47.29 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.454 ' CE1' ' SG ' ' A' ' 31' ' ' CYS . 45.3 m80 -92.32 155.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.12 -59.57 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.404 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 5.7 m-20 -122.0 79.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 13.7 mp0 -153.34 105.42 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.09 152.3 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mm -71.89 114.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.407 ' OD1' ' HB2' ' A' ' 32' ' ' SER . 1.5 p30 -91.55 -39.11 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.648 HD12 ' HB ' ' A' ' 45' ' ' VAL . 47.0 pt -130.71 175.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.6 ' HB2' HD13 ' A' ' 48' ' ' LEU . 15.7 t80 -128.58 137.82 51.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.56 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.4 t -86.35 148.86 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD12 ' CE2' ' A' ' 22' ' ' TYR . 1.1 mp -107.27 -62.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -30.61 -66.8 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.856 ' SG ' HG22 ' A' ' 28' ' ' VAL . 14.2 p -81.23 -13.95 58.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mm-40 64.21 53.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.856 HG22 ' SG ' ' A' ' 26' ' ' CYS . 4.4 m -139.49 127.21 13.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 89.38 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -115.5 156.59 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 13.7 p -61.9 175.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 21' ' ' ILE . 22.3 t -80.36 -37.97 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -40.18 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HA ' ' HA3' ' A' ' 38' ' ' GLY . 67.7 m -72.9 -27.98 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.677 ' HD3' HG13 ' A' ' 45' ' ' VAL . 2.0 tptm -77.34 -44.98 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.639 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.7 m -82.25 -38.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CD2' HG23 ' A' ' 36' ' ' VAL . 26.9 m-85 -104.02 -57.0 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 34' ' ' CYS . . . -48.07 177.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.497 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.434 ' C ' HD12 ' A' ' 39' ' ' ILE . 2.7 pp -78.95 8.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.401 ' O ' ' HD2' ' A' ' 35' ' ' LYS . 69.1 m-70 -88.01 29.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -76.26 -41.98 47.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -19.77 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -70.99 -177.5 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -129.83 105.32 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.677 HG13 ' HD3' ' A' ' 35' ' ' LYS . 35.3 m -88.41 151.18 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -134.06 160.1 69.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.3 Cg_endo -69.73 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 22' ' ' TYR . 13.0 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.487 ' HE1' ' O ' ' A' ' 15' ' ' GLU . 13.6 ptm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HB2' HD13 ' A' ' 19' ' ' ILE . 10.3 t -80.86 97.93 7.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -49.26 -44.58 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -46.32 -45.39 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 33' ' ' MET . 64.0 m80 -97.21 179.36 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' O ' ' HE1' ' A' ' 10' ' ' MET . 25.5 mt-10 -106.2 -66.77 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 6.2 p-10 -115.64 84.19 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -128.47 -13.67 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 19' ' ' ILE . 2.0 mptm? 34.32 47.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 21' ' ' ILE . 33.6 mm 31.31 54.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.483 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -30.51 -48.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.681 ' O ' HG22 ' A' ' 19' ' ' ILE . 12.3 pt -127.06 174.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.738 ' CE1' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -125.94 137.8 53.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.585 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.5 t -81.2 142.56 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.1 mp -100.29 -63.02 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.9 m -29.39 -76.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.3 p -68.78 -17.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' LEU . 29.6 mt-10 67.83 53.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.59 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.7 m -142.8 130.34 11.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 101.45 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' CYS . 13.0 t -129.91 152.84 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.3 p -60.14 176.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 36' ' ' VAL . 3.4 t -88.34 -28.02 21.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.575 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 7.1 mmt -58.16 -32.47 68.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -80.82 -21.27 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.68 ' HE3' HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -86.62 -54.54 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.785 HG23 ' CD2' ' A' ' 37' ' ' PHE . 34.6 m -83.61 -24.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.785 ' CD2' HG23 ' A' ' 36' ' ' VAL . 10.4 m-85 -134.86 49.8 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.01 -143.72 3.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.6 pp -95.11 -32.46 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.447 ' N ' HD12 ' A' ' 39' ' ' ILE . 88.7 m-70 -65.77 71.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' ILE . 23.3 mmmt -101.29 -39.89 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 33.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 34.1 m -120.77 178.86 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 43' ' ' CYS . 11.2 mm-40 -132.32 112.84 12.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.608 HG21 ' HE2' ' A' ' 35' ' ' LYS . 26.0 m -91.44 156.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -149.26 162.61 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.658 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.77 108.43 2.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.354 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.2 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' N ' HD11 ' A' ' 19' ' ' ILE . 11.7 t -72.79 112.46 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -38.07 -61.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.71 -48.54 63.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -114.34 83.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -66.06 -41.29 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.406 ' O ' ' CE ' ' A' ' 18' ' ' LYS . 5.2 m-20 -60.72 -47.11 87.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.84 153.86 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -93.4 173.54 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.416 HD11 ' N ' ' A' ' 11' ' ' CYS . 49.8 mm -87.88 106.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -84.7 -43.76 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.685 HD11 ' HA ' ' A' ' 32' ' ' SER . 17.8 pt -118.97 174.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 24' ' ' LEU . 76.2 t80 -133.94 126.54 30.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 17.7 t -80.65 138.9 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 22' ' ' TYR . 2.4 mm? -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.1 m -38.9 -61.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 28' ' ' VAL . 7.9 p -89.81 -9.82 47.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 64.04 53.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.5 m -140.44 131.25 13.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.099 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 96.25 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 23' ' ' CYS . 10.0 t -117.28 165.52 13.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.2 -175.21 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.685 ' HA ' HD11 ' A' ' 21' ' ' ILE . 22.9 m -82.87 -44.41 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -45.51 -38.01 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 66.4 m -75.51 -39.11 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HD2' HG13 ' A' ' 36' ' ' VAL . 8.3 tmtt? -65.1 -54.64 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.1 m -81.8 -35.94 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 4.7 m-85 -124.99 60.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -169.64 179.75 41.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.556 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.6 pp -60.65 -24.37 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' N ' HD12 ' A' ' 39' ' ' ILE . 89.8 m-70 -72.14 66.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -101.02 -49.83 4.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.98 34.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.499 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 25.1 m -121.88 178.52 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.88 116.49 17.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.618 HG11 HD12 ' A' ' 21' ' ' ILE . 12.6 m -102.48 138.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.875 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -132.94 170.4 11.5 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.875 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.4 Cg_endo -69.76 110.69 2.62 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 22' ' ' TYR . 3.8 mm? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.1 mtp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.95 105.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -47.23 -46.77 24.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 30.1 mt-10 -46.22 -52.55 12.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -92.4 162.25 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.68 -56.27 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.86 80.77 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -123.45 118.25 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -75.41 99.67 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 49.2 mm -33.6 110.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -93.54 -46.26 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.727 HD12 HG21 ' A' ' 45' ' ' VAL . 29.4 pt -124.46 174.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.738 ' CE1' HD12 ' A' ' 24' ' ' LEU . 4.4 t80 -126.51 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.536 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.7 t -83.73 145.8 28.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -103.44 -61.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.4 m -29.67 -66.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.8 ' SG ' HG22 ' A' ' 28' ' ' VAL . 6.8 p -81.56 -16.65 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 24' ' ' LEU . 25.0 mt-10 67.37 54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.8 HG22 ' SG ' ' A' ' 26' ' ' CYS . 9.6 m -141.28 127.49 11.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.24 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ILE . 12.7 t -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -62.73 -177.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.602 ' HA ' HD11 ' A' ' 21' ' ' ILE . 21.0 t -93.04 -32.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -33.26 29.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 69.1 m -79.37 -30.63 42.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.5 tmtt? -75.4 -50.82 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.782 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.4 m -81.42 -31.58 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.782 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.0 m-85 -133.48 58.1 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -166.49 178.64 40.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -53.56 -31.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.486 ' N ' HD12 ' A' ' 39' ' ' ILE . 92.3 m-70 -68.8 69.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -100.93 -50.19 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.83 33.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 22.5 m -118.51 179.87 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -141.82 109.41 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 HD12 ' A' ' 21' ' ' ILE . 14.4 m -87.43 159.97 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -142.52 158.77 59.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.2 Cg_endo -69.75 103.75 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.4 mm? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.7 mtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' N ' HD11 ' A' ' 19' ' ' ILE . 45.0 t -46.81 156.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.9 -44.13 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -55.64 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -86.89 163.49 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 12.5 pt-20 -126.54 -42.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 m-20 -74.08 -47.79 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.73 143.61 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -95.79 172.62 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 11' ' ' CYS . 47.4 mm -76.07 117.41 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -95.41 -41.05 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.875 HD12 ' CB ' ' A' ' 45' ' ' VAL . 44.7 pt -134.23 174.32 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.61 ' CE1' HD12 ' A' ' 24' ' ' LEU . 4.3 t80 -123.94 133.86 53.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.4 t -81.88 142.83 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.61 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -98.93 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -32.56 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.4 p -73.15 -11.89 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 mt-10 61.22 54.65 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.3 m -140.13 127.95 12.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 92.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.6 t -119.01 155.28 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.7 p -55.27 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.429 ' HB3' ' CE ' ' A' ' 33' ' ' MET . 5.2 t -100.23 -35.53 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.429 ' CE ' ' HB3' ' A' ' 32' ' ' SER . 25.7 mmt -51.33 -31.63 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLY . 48.1 m -75.48 -41.03 56.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.814 HG23 ' CD2' ' A' ' 37' ' ' PHE . 33.4 m -80.69 -33.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.814 ' CD2' HG23 ' A' ' 36' ' ' VAL . 9.1 m-85 -135.03 62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -165.3 -163.94 19.66 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -84.06 9.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -107.05 54.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -93.56 -44.2 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.14 32.59 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.542 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 31.1 m -121.57 -175.94 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 24' ' ' LEU . 14.1 mt-10 -136.52 100.92 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.875 ' CB ' HD12 ' A' ' 21' ' ' ILE . 35.7 m -92.34 148.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.841 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -113.91 168.87 7.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.556 0.693 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.841 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 16.67 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 22' ' ' TYR . 23.9 tp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.27 144.28 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.01 22.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.46 -36.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 17' ' ' GLU . 63.4 m80 -108.69 174.92 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 16' ' ' ASP . 3.0 pp20? -116.21 -48.42 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.445 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 14.2 m-20 -93.61 -33.31 13.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 14' ' ' HIS . 31.1 mm-40 -65.17 105.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -75.01 165.9 24.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 29' ' ' PRO . 49.4 mm -66.92 127.8 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -113.86 -45.3 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 32' ' ' SER . 43.8 pt -119.66 172.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 31.6 t80 -124.43 133.05 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.557 ' HB2' HG22 ' A' ' 30' ' ' THR . 9.1 t -85.14 149.36 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -105.02 -61.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.0 m -33.62 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.8 p -73.68 -14.24 61.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 63.24 54.23 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.492 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.4 m -140.56 131.51 13.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.578 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.7 Cg_endo -69.78 81.87 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 23' ' ' CYS . 10.0 t -108.32 153.53 23.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -63.21 179.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.751 ' HA ' HD11 ' A' ' 21' ' ' ILE . 4.9 t -84.04 -41.01 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.426 ' CE ' ' H ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -47.18 -39.59 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.467 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 52.5 m -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 1.4 tmmt? -77.61 -49.2 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' CG ' ' A' ' 37' ' ' PHE . 20.7 m -76.58 -39.55 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CG ' HG23 ' A' ' 36' ' ' VAL . 26.6 m-85 -104.17 -56.96 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -47.49 178.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.3 1.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.354 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.86 52.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -91.89 -41.63 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.8 32.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.505 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.7 m -120.72 -175.11 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -138.84 107.5 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.536 ' CB ' HD12 ' A' ' 21' ' ' ILE . 27.5 m -97.72 146.48 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.749 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -120.88 165.35 19.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.749 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.76 91.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 9.5 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 11' ' ' CYS . 4.1 ppp? . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.832 0.348 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.432 ' O ' ' SD ' ' A' ' 10' ' ' MET . 11.6 t -51.63 98.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 14.7 pttm -45.16 -37.82 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 8.7 tp10 -52.79 -44.47 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 17' ' ' GLU . 32.8 m80 -99.49 155.58 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -100.43 -49.38 4.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -111.76 43.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 14' ' ' HIS . 10.1 tp10 -133.97 91.72 2.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -64.56 139.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mm -40.14 112.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -95.86 -43.05 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.769 HD12 HG11 ' A' ' 45' ' ' VAL . 32.5 pt -127.6 175.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.782 ' HB2' HD13 ' A' ' 48' ' ' LEU . 13.2 t80 -132.06 130.07 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.3 t -81.87 146.09 30.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -104.79 -61.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.2 m -30.62 -67.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.813 ' SG ' HG22 ' A' ' 28' ' ' VAL . 11.8 p -79.85 -12.95 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 45.3 mt-10 63.46 53.79 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.813 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.7 m -141.91 128.78 11.31 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 101.55 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -126.33 150.24 48.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 14.3 p -63.17 178.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m -82.85 -34.09 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -54.91 -35.51 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.98 -23.7 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HE2' HG13 ' A' ' 36' ' ' VAL . 13.4 ttpt -83.51 -41.29 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.554 HG13 ' HE2' ' A' ' 35' ' ' LYS . 19.2 m -97.72 -36.39 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CG ' HG23 ' A' ' 36' ' ' VAL . 20.7 m-85 -116.01 41.45 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 -123.61 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.436 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -133.82 7.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.16 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -101.08 54.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -95.6 -40.0 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.33 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.49 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m -70.07 -174.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 11.9 pt-20 -136.91 107.46 6.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.769 HG11 HD12 ' A' ' 21' ' ' ILE . 34.2 m -86.96 153.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.727 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -131.81 164.63 41.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.3 Cg_endo -69.75 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 22' ' ' TYR . 14.5 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -131.05 -48.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -87.66 171.78 10.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.59 168.95 33.09 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -80.15 142.47 34.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.837 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -146.62 133.09 19.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.95 -173.02 34.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -85.62 144.65 40.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 128.6 16.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 56.7 mtp -103.74 141.31 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.561 ' N ' HD11 ' A' ' 19' ' ' ILE . 12.6 t -48.42 133.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -64.37 -46.66 82.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.13 -56.69 18.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -96.49 94.55 7.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -49.52 -42.31 43.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 15' ' ' GLU . 2.8 p30 -110.75 80.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -158.19 112.43 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.23 118.6 8.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.561 HD11 ' N ' ' A' ' 11' ' ' CYS . 47.5 mm -51.05 131.73 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -106.09 -46.29 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.64 HD11 ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -119.82 173.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.619 ' HB2' HD13 ' A' ' 48' ' ' LEU . 22.7 t80 -128.35 129.57 46.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.519 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.9 t -80.87 151.15 28.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -108.26 -61.03 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' LEU . 51.5 m -33.05 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 28' ' ' VAL . 11.8 p -75.3 -21.21 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 70.77 53.48 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.456 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.4 m -140.33 129.07 13.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 88.54 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -111.32 163.35 14.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -68.62 -176.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.692 ' O ' HG22 ' A' ' 36' ' ' VAL . 1.3 t -92.91 -32.87 14.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.426 ' CE ' ' H ' ' A' ' 33' ' ' MET . 0.5 OUTLIER -56.81 -30.52 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.4 m -80.04 -21.44 43.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 35' ' ' LYS . 13.6 tmtt? -87.71 -37.18 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 32' ' ' SER . 15.2 m -96.55 -28.21 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.665 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.6 m-85 -128.71 43.03 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.74 -150.4 5.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.699 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -95.16 -17.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.363 . . . . 0.0 111.143 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -74.7 58.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -98.74 -46.63 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 -22.42 63.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.491 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 37.3 m -65.59 -178.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -131.94 101.57 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -90.24 149.59 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -128.66 166.04 27.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.568 0.699 . . . . 0.0 111.091 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.76 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' A' ' 22' ' ' TYR . 19.2 tp -36.56 -32.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' PRO . 5.4 tt0 -38.81 -57.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -124.92 -47.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 15.1 t 62.93 54.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.95 159.53 24.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -44.79 150.67 0.34 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 92.73 132.31 5.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -76.42 145.76 39.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -128.48 42.62 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.2 p -116.72 106.02 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -119.12 -47.61 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 t -74.18 125.38 28.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 61' ' ' PRO . . . 108.36 114.18 3.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD2' ' HA2' ' A' ' 60' ' ' GLY . 53.5 Cg_endo -69.73 154.68 67.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.6 p -100.59 128.21 46.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' GLY . 1.9 t -97.91 159.93 14.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.799 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 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 -0.34 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -128.28 92.17 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -145.4 121.77 10.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.19 -42.22 0.34 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -76.52 113.63 14.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -108.73 123.08 48.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.95 -149.12 4.92 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.442 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -60.72 152.28 68.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 152.98 69.32 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 ptm -113.11 171.96 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.56 113.63 12.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -55.2 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -48.28 -45.98 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -95.13 151.76 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 8.0 pt-20 -97.08 -38.66 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 4.2 m-20 -105.02 -49.29 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.0 92.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -73.3 -178.73 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 30' ' ' THR . 32.0 mm -71.37 122.55 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -111.55 -37.45 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.729 HD12 HG11 ' A' ' 45' ' ' VAL . 32.8 pt -126.73 175.12 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.526 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 24.0 t80 -124.7 130.73 52.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.477 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.6 t -82.08 146.85 29.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -104.71 -61.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -31.71 -65.43 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.682 ' SG ' HG22 ' A' ' 28' ' ' VAL . 19.7 p -84.86 -14.71 47.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 64.53 52.02 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.682 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.3 m -136.93 124.29 14.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.69 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.491 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 12.3 t -116.47 157.42 25.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 p -57.04 171.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -87.1 8.01 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.54 -38.67 9.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.461 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 61.6 m -68.53 -34.68 76.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HD3' HG13 ' A' ' 45' ' ' VAL . 27.2 tptp -62.09 -62.93 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.3 m -77.37 -34.04 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.8 m-85 -125.58 62.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -174.76 172.96 45.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -50.71 -27.28 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.452 ' N ' HD12 ' A' ' 39' ' ' ILE . 92.4 m-70 -72.64 66.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -100.7 -47.02 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.31 34.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.452 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 35.2 m -119.83 176.35 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -136.81 109.16 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.729 HG11 HD12 ' A' ' 21' ' ' ILE . 27.0 m -87.72 155.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.872 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -124.42 169.27 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 111.089 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.872 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.74 85.24 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 11.2 tp -32.62 -51.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -38.01 -59.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 t -131.51 90.32 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.37 105.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' GLN . 8.3 t80 -169.93 105.12 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' PHE . 13.8 pt20 36.59 42.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.51 -158.91 7.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -83.06 153.05 25.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -77.31 153.83 33.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.623 HG21 ' O ' ' A' ' 45' ' ' VAL . 3.3 t -124.85 105.38 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -151.67 168.91 23.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 m -99.58 -56.66 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.3 175.18 15.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.9 p -82.35 154.13 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -124.17 175.95 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.521 179.982 . . . . . . . . 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 1.451 -0.308 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -124.37 87.32 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -171.07 152.41 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.57 93.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -95.27 -47.92 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 m 56.65 44.53 23.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.74 131.8 5.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.488 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 m-70 -71.66 -60.67 2.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.57 0.7 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 8' ' ' HIS . 54.3 Cg_endo -69.74 134.08 27.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.384 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 18' ' ' LYS . 61.1 mmm -152.82 170.35 20.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.91 135.67 57.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -51.8 -41.43 61.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.41 -48.94 15.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -104.54 121.58 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -91.22 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.27 -45.17 9.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.61 118.07 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.4 mmmm -68.35 148.38 50.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.21 121.08 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -94.47 -46.32 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.669 HD12 HG11 ' A' ' 45' ' ' VAL . 28.4 pt -125.02 175.08 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 28.4 t80 -125.73 137.42 53.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.8 t -88.85 147.63 24.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD12 ' CE2' ' A' ' 22' ' ' TYR . 1.6 mp -104.05 -62.79 1.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 48.9 m -32.62 -73.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.884 ' SG ' HG22 ' A' ' 28' ' ' VAL . 22.8 p -73.61 -13.9 61.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.0 52.71 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.884 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 m -138.64 128.1 14.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -121.03 157.85 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -61.98 172.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' HD11 ' A' ' 21' ' ' ILE . 17.0 p -91.7 7.35 42.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.3 mmt -93.99 -33.95 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 38' ' ' GLY . 57.9 m -71.89 -43.83 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -54.56 -58.15 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.2 m -77.56 -37.86 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.538 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.4 m-85 -127.06 67.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -168.96 -139.32 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.465 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.728 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -105.8 -24.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.12 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -69.33 69.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -101.18 -49.5 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.91 34.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 29.7 m -120.53 -174.91 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' O ' HD13 ' A' ' 24' ' ' LEU . 7.5 mt-10 -138.51 106.95 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.669 HG11 HD12 ' A' ' 21' ' ' ILE . 10.5 m -89.64 149.61 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.65 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -139.53 162.15 52.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.75 109.96 2.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 49' ' ' GLN . 4.2 mm? -36.34 -40.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.468 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -32.6 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 51' ' ' VAL . 22.7 p -134.98 30.16 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 50' ' ' SER . 16.8 t 33.02 53.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' HD2' ' HZ1' ' A' ' 56' ' ' LYS . 2.8 t80 -77.28 143.33 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -140.71 111.29 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.957 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -145.33 48.45 0.7 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 54' ' ' GLY . 10.2 pt20 35.5 45.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HZ1' ' HD2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -93.85 -20.93 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' GLU . 25.1 m -74.55 153.58 38.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' THR . 9.6 tp10 -37.22 112.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.9 p -80.84 42.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.58 105.52 1.21 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 86.9 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.366 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -64.45 139.8 58.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -89.63 173.92 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.505 -179.983 . . . . . . . . 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 -0.35 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -136.48 110.4 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -157.44 154.87 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.61 52.72 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -69.16 165.32 20.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -57.57 -61.21 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.22 131.27 10.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -61.26 160.83 20.62 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.707 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 117.84 5.33 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.742 2.295 . . . . 0.0 112.33 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.484 ' HE2' ' C ' ' A' ' 17' ' ' GLU . 77.6 mtp -94.09 157.06 16.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.0 t -51.13 128.85 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -59.54 -46.16 89.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -51.18 -53.61 33.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -87.95 165.29 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.54 -44.67 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -118.37 47.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.484 ' C ' ' HE2' ' A' ' 10' ' ' MET . 26.8 tp10 -129.45 98.6 4.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -58.53 157.63 8.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 29' ' ' PRO . 31.2 mm -70.23 128.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.7 -46.22 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.441 HD12 HG11 ' A' ' 45' ' ' VAL . 24.2 pt -122.1 174.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.616 ' HB2' HD13 ' A' ' 48' ' ' LEU . 21.5 t80 -127.53 131.22 50.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.1 t -84.96 141.5 30.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.2 mp -97.32 -64.17 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.6 m -29.9 -72.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.865 ' SG ' HG22 ' A' ' 28' ' ' VAL . 18.1 p -75.91 -15.91 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.5 mt-10 64.18 54.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.865 HG22 ' SG ' ' A' ' 26' ' ' CYS . 5.7 m -138.51 125.12 12.93 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.638 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.7 Cg_endo -69.74 91.74 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -112.16 165.06 12.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -64.14 173.22 2.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.415 ' OG ' ' HE2' ' A' ' 33' ' ' MET . 30.0 p -96.28 8.0 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.415 ' HE2' ' OG ' ' A' ' 32' ' ' SER . 33.2 mmt -96.24 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.1 m -76.48 -37.89 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.673 ' HD2' HG13 ' A' ' 36' ' ' VAL . 2.4 tmtm? -58.98 -60.23 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 26.9 m -76.17 -35.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 3.8 m-85 -132.09 71.5 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.09 -116.75 0.38 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -128.17 -29.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' N ' HD12 ' A' ' 39' ' ' ILE . 95.8 m-70 -69.35 69.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -99.65 -44.66 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.17 32.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -120.47 178.35 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -130.37 109.15 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 21' ' ' ILE . 16.9 m -94.66 145.62 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -123.53 168.48 12.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 111.102 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.7 Cg_endo -69.78 91.0 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 22' ' ' TYR . 19.0 tp -39.33 -39.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -44.3 -46.58 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.2 p -126.33 -48.37 1.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 51' ' ' VAL . 63.6 t 66.86 54.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -143.14 148.8 37.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -39.06 126.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.93 -102.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -39.57 148.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -126.47 139.09 53.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.1 p -108.93 43.8 1.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 64.39 41.45 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t -47.61 -50.13 25.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.96 107.97 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.85 37.82 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -100.76 157.6 16.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m 43.04 42.13 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.489 -179.992 . . . . . . . . 0 0 . 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 1.451 -0.334 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -120.98 42.28 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -125.6 161.4 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.05 -123.93 0.88 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 p -124.0 162.08 24.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.833 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -93.74 94.62 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.9 -160.4 28.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -90.18 152.49 46.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.39 21.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.518 ' HE1' ' O ' ' A' ' 16' ' ' ASP . 40.8 mtp -121.34 172.59 7.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.9 t -70.49 131.58 44.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -48.44 -40.8 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -85.0 -50.16 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -99.0 94.15 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -88.79 11.95 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.518 ' O ' ' HE1' ' A' ' 10' ' ' MET . 0.8 OUTLIER -107.66 -54.99 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.29 139.04 33.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' HE3' ' A' ' 10' ' ' MET . 0.1 OUTLIER -65.68 165.17 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.41 HD11 ' C ' ' A' ' 10' ' ' MET . 29.8 mm -69.45 110.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -77.42 -50.9 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.728 HD12 ' CB ' ' A' ' 45' ' ' VAL . 27.9 pt -132.76 175.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.639 ' CE1' HD12 ' A' ' 24' ' ' LEU . 7.4 t80 -121.65 134.08 54.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.484 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.1 t -83.67 141.71 31.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.639 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -98.31 -58.17 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 89.5 m -35.55 -67.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.832 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.7 p -83.47 0.69 45.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 13.1 pt-20 47.49 54.85 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.832 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.6 m -136.43 125.02 15.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 83.89 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.287 . . . . 0.0 112.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -112.07 153.28 27.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.7 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -96.04 -28.1 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -36.98 70.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.518 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 63.4 m -71.45 -22.21 61.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.3 tptp -86.76 -55.68 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.5 m -60.77 -30.48 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 36' ' ' VAL . 9.1 m-85 -125.98 -58.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -39.33 164.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -56.15 -12.5 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 80.4 m-70 -74.91 45.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -90.94 -42.19 10.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -25.36 65.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.46 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 50.0 m -65.04 -177.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -134.69 101.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.728 ' CB ' HD12 ' A' ' 21' ' ' ILE . 19.7 m -87.56 154.89 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.876 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -133.05 169.64 13.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.876 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.3 Cg_endo -69.76 95.06 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 9.7 tp -31.96 -36.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 47' ' ' PRO . 36.7 tp60 -68.11 88.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.968 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.2 m 61.62 54.92 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 51' ' ' VAL . 17.2 m -57.9 98.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -87.16 -55.8 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -159.02 154.53 25.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -141.07 -85.16 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 54' ' ' GLY . 3.2 mp0 36.62 41.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -170.76 106.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.8 m -99.64 -54.86 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.62 171.37 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.3 t -95.22 -53.65 3.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.89 159.11 23.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.67 14.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t -85.94 165.19 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -84.33 -41.69 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.499 -179.996 . . . . . . . . 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 -0.307 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -79.46 45.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -80.05 128.63 33.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.67 -113.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -51.44 113.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 m -89.9 -59.41 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.25 84.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -74.93 153.74 86.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 110.844 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' MET . 54.0 Cg_endo -69.75 -172.69 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.426 ' HE2' ' N ' ' A' ' 18' ' ' LYS . 13.8 mtp -36.82 155.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.2 t -64.75 125.76 25.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -43.25 -62.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.41 ' NE2' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -57.87 -173.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 8.4 mt-10 -121.59 90.59 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.472 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 3.6 p30 50.12 43.73 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LYS . 11.0 mm-40 -100.63 98.49 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' GLU . 29.1 mttp -32.84 115.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.6 mm -39.94 132.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.83 -59.99 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 32' ' ' SER . 39.7 pt -114.77 175.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.514 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 18.4 t80 -124.11 129.11 50.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.4 t -79.73 151.35 30.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 25' ' ' THR . 1.9 mp -109.87 -60.66 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.4 m -32.52 -65.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.872 ' SG ' HG22 ' A' ' 28' ' ' VAL . 12.7 p -81.71 -13.91 57.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 67.8 mm-40 64.84 52.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.872 HG22 ' SG ' ' A' ' 26' ' ' CYS . 4.6 m -139.84 129.78 13.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 88.18 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.389 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.407 HG22 ' HB2' ' A' ' 23' ' ' CYS . 6.2 t -115.1 149.68 37.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.41 ' SG ' ' NE2' ' A' ' 14' ' ' HIS . 24.2 p -52.77 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 21' ' ' ILE . 6.2 t -96.25 -40.26 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.555 ' HE1' ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -52.36 -42.6 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -68.06 -9.94 49.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' C ' ' CD ' ' A' ' 35' ' ' LYS . 3.4 tmtt? -95.71 -45.12 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.726 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.1 m -83.21 -23.52 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.726 ' CD2' HG23 ' A' ' 36' ' ' VAL . 55.7 m-85 -121.51 -46.15 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.88 -165.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.506 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -82.78 -14.26 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -71.26 65.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -100.99 -39.26 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.28 31.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 44.5 m -122.55 176.12 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -133.78 104.87 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.632 ' CB ' HD12 ' A' ' 21' ' ' ILE . 28.9 m -89.07 156.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.844 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -130.03 168.22 17.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.566 0.698 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.844 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.78 89.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 10.9 tp -31.7 -60.39 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 48' ' ' LEU . 14.4 pt20 -34.26 -48.41 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -133.41 85.31 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 51' ' ' VAL . 95.4 t -89.77 60.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -84.58 -47.29 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -140.29 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.51 111.49 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -126.11 -44.85 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.75 155.63 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.7 p -54.86 141.45 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -50.6 -54.41 22.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.3 p -80.0 157.21 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.85 120.18 4.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 101.53 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.0 p -69.46 96.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 p -113.55 -32.81 6.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.468 -179.986 . . . . . . . . 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 -0.327 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -85.29 152.82 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.8 p -170.94 175.44 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.63 -107.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -54.24 125.73 20.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -122.87 158.7 29.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.73 -142.22 5.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -63.01 155.0 74.93 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.589 0.709 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 168.2 22.26 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.605 ' HE3' ' HA ' ' A' ' 18' ' ' LYS . 21.6 mtp -118.09 160.46 21.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.6 t -65.31 116.68 6.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -38.14 -45.69 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 34.0 mt-10 -64.86 -58.31 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -102.83 104.66 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -88.57 2.32 53.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -93.82 -51.83 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -89.32 139.89 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 0.0 OUTLIER -75.55 164.81 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mm -62.39 118.24 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.804 HD12 HG11 ' A' ' 45' ' ' VAL . 27.9 pt -129.23 174.3 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.666 ' HB2' HD13 ' A' ' 48' ' ' LEU . 37.4 t80 -125.64 132.76 52.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.5 t -87.6 138.17 31.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.526 HD12 ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -92.84 -58.16 2.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' ' SG ' ' A' ' 43' ' ' CYS . 94.9 m -34.97 -69.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.658 ' O ' HG13 ' A' ' 28' ' ' VAL . 6.9 p -81.61 0.69 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 16.0 pt-20 47.01 55.02 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 26' ' ' CYS . 1.4 m -140.14 127.78 12.69 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.639 0.733 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 t -120.35 152.82 37.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -53.38 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.645 ' HA ' HD11 ' A' ' 21' ' ' ILE . 41.5 t -95.78 -24.49 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -38.62 87.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 67.8 m -72.88 -23.92 60.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.824 ' HD3' HG13 ' A' ' 45' ' ' VAL . 2.5 tptm -83.25 -43.6 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.633 HG23 ' CD2' ' A' ' 37' ' ' PHE . 31.8 m -84.12 -27.07 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CD2' HG23 ' A' ' 36' ' ' VAL . 20.9 m-85 -117.24 -56.23 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' PHE . . . -48.94 -179.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' C ' HD12 ' A' ' 39' ' ' ILE . 2.8 pp -71.01 -3.93 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 111.17 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -82.11 36.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -82.51 -35.12 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.79 -22.4 53.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.474 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 54.9 m -67.16 -175.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -141.99 105.01 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.824 HG13 ' HD3' ' A' ' 35' ' ' LYS . 25.5 m -87.84 158.12 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.857 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -129.49 169.27 13.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.857 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.1 Cg_endo -69.7 88.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.374 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 22' ' ' TYR . 13.7 tp -32.92 -38.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' PRO . 94.7 mt-30 -79.88 105.21 11.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t 70.12 54.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.7 t -63.75 95.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -134.93 -64.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.03 120.63 23.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -102.57 56.39 0.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.481 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 54' ' ' GLY . 9.3 pt20 -34.53 136.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -42.9 118.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.4 m -110.91 -41.27 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 59' ' ' SER . 9.2 tm-20 -87.27 -65.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 58' ' ' GLU . 2.2 t -34.14 -40.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -45.26 126.08 7.28 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -23.78 30.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.622 2.215 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m 39.96 41.09 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.4 p -113.79 -59.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.487 -179.988 . . . . . . . . 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 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -140.19 155.72 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p -57.74 90.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 165.0 -81.9 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 4' ' ' GLY . 39.7 t -35.72 -59.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 110.893 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t 50.49 41.35 25.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.32 -175.95 40.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 52.3 t-80 -53.93 139.28 53.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 8' ' ' HIS . 53.5 Cg_endo -69.76 159.78 52.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.266 . . . . 0.0 112.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.461 ' HE3' ' N ' ' A' ' 17' ' ' GLU . 35.4 mmm -96.14 176.74 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.2 t -66.55 148.37 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -47.91 52.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -64.89 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.605 ' CE1' ' SG ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -58.39 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -134.97 95.33 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t0 69.75 47.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' N ' ' HE3' ' A' ' 10' ' ' MET . 17.2 mt-10 -117.96 101.35 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' GLU . 32.4 mmtt -33.89 131.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.08 150.01 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -114.39 -45.26 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.621 HD12 ' CB ' ' A' ' 45' ' ' VAL . 38.5 pt -124.17 175.03 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.162 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 34.5 t80 -126.44 134.04 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 15.4 t -86.23 150.36 24.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -106.01 -60.34 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.3 m -33.88 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 9.1 p -69.72 -21.31 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 26' ' ' CYS . 25.2 mt-10 70.97 54.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 m -144.35 130.72 10.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 53.7 Cg_endo -69.78 86.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -109.74 147.53 33.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 13.7 p -53.86 175.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.585 ' HA ' HD11 ' A' ' 21' ' ' ILE . 16.4 t -86.47 -37.8 17.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -46.89 -40.3 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.935 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.481 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 68.3 m -72.17 -37.07 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.782 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.0 tptm -64.38 -53.48 47.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.702 HG23 ' CD2' ' A' ' 37' ' ' PHE . 30.0 m -81.64 -34.02 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.702 ' CD2' HG23 ' A' ' 36' ' ' VAL . 4.3 m-85 -129.41 60.33 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.37 -172.27 35.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.534 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -65.84 -23.02 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 82.1 m-70 -73.13 67.26 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -102.19 -51.36 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.64 34.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.487 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 28.1 m -118.96 -179.79 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -138.15 104.81 5.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.782 HG13 ' HD3' ' A' ' 35' ' ' LYS . 35.6 m -92.25 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -138.11 160.46 64.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.532 0.682 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.75 103.63 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 22' ' ' TYR . 1.6 mp -33.03 -53.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -42.32 -53.91 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -122.9 83.58 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 48' ' ' LEU . 64.2 t -101.02 -47.05 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' VAL . 1.3 t80 -34.62 -49.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' CD ' ' N ' ' A' ' 54' ' ' GLY . 4.9 pp0? -83.82 -46.31 12.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' N ' ' CD ' ' A' ' 53' ' ' GLN . . . -50.75 120.92 9.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 56' ' ' LYS . 28.6 pt20 -109.07 -43.8 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 48.4 mttp -128.2 178.38 6.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.5 t -110.38 -33.47 6.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -112.07 117.52 32.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.2 t -66.17 97.54 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.8 127.7 6.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 106.89 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.2 p -94.71 41.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -41.81 119.65 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.528 -179.996 . . . . . . . . 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 -0.31 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -124.82 126.16 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -163.66 115.28 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.27 161.49 23.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t 66.21 49.24 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.823 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -79.53 45.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.39 -117.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -85.15 141.66 37.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 179.41 3.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.474 ' HE2' ' O ' ' A' ' 14' ' ' HIS . 12.7 ptm -127.0 148.32 50.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -44.61 108.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 5.3 ptpp? -57.47 -34.1 68.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 16.2 mm-40 -61.47 -44.86 96.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.474 ' O ' ' HE2' ' A' ' 10' ' ' MET . 78.3 m80 -106.97 104.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.28 -34.61 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -86.47 -71.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 18.4 mp0 -53.91 121.32 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -95.02 178.08 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 29' ' ' PRO . 24.6 mm -65.91 108.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -99.16 -38.31 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.645 HD12 ' CB ' ' A' ' 45' ' ' VAL . 43.7 pt -128.38 173.07 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.734 ' HB2' HD13 ' A' ' 48' ' ' LEU . 26.1 t80 -123.56 132.61 53.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.0 t -82.43 145.33 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -103.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 24' ' ' LEU . 49.8 m -30.15 -69.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.829 ' SG ' HG22 ' A' ' 28' ' ' VAL . 16.5 p -77.52 -19.17 56.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LEU . 40.0 mt-10 67.6 54.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.829 HG22 ' SG ' ' A' ' 26' ' ' CYS . 5.8 m -138.5 126.97 14.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.8 Cg_endo -69.74 89.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' CYS . 10.1 t -114.91 153.74 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' THR . 14.8 p -50.33 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.51 ' O ' HG22 ' A' ' 36' ' ' VAL . 5.6 t -94.14 -19.86 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 35' ' ' LYS . 28.9 mmt -67.38 -68.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.3 m -39.22 -25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' MET . 20.3 tptt -75.39 -61.5 1.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 32' ' ' SER . 3.4 m -72.86 -42.4 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.6 m-85 -125.89 69.54 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.94 -126.89 0.85 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.4 7.99 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -101.46 33.53 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -73.41 -37.94 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.24 33.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.114 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.494 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 48.7 m -127.46 -178.05 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -131.6 103.17 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.645 ' CB ' HD12 ' A' ' 21' ' ' ILE . 16.0 m -88.31 149.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.197 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.85 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -128.12 168.83 14.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 111.095 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.85 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.2 Cg_endo -69.77 89.7 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' A' ' 22' ' ' TYR . 18.1 tp -39.25 -36.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -54.61 106.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.6 p 40.01 50.38 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 62.0 t -38.58 98.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -71.24 -65.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -127.76 -52.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.96 65.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.508 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -59.03 148.43 30.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' H ' ' CD ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -73.19 172.96 10.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 t -114.6 -33.17 5.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -144.75 168.63 19.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.9 p -73.22 -43.99 60.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.12 -171.45 52.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.443 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.312 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 t -39.54 -60.64 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.5 m -104.65 44.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.504 179.99 . . . . . . . . 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 1.451 -0.321 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -147.77 152.89 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -80.84 142.04 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.71 158.85 14.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -132.66 42.11 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.9 p -71.64 104.39 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.39 157.83 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.523 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -58.07 142.68 79.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.71 67.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.713 2.276 . . . . 0.0 112.365 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.432 ' HE1' ' O ' ' A' ' 16' ' ' ASP . 23.1 mtp -107.68 153.12 23.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.78 110.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -53.15 -52.4 58.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' OE1' ' C ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -42.69 -46.44 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -85.59 172.69 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -93.25 74.22 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.432 ' O ' ' HE1' ' A' ' 10' ' ' MET . 32.2 m-20 63.34 46.28 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' C ' ' HE2' ' A' ' 10' ' ' MET . 14.4 tp10 -92.56 122.77 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -46.91 131.7 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 29' ' ' PRO . 49.0 mm -61.92 134.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -104.5 -49.34 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 32' ' ' SER . 48.1 pt -125.69 174.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 30.7 t80 -124.08 138.11 54.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.3 t -91.39 146.96 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -103.28 -61.33 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 24' ' ' LEU . 54.4 m -33.34 -70.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.797 ' SG ' HG22 ' A' ' 28' ' ' VAL . 19.8 p -77.48 -17.52 57.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 66.96 53.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.797 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 m -137.54 127.06 15.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.161 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.57 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.8 Cg_endo -69.74 85.97 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -115.33 157.92 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 p -61.68 -176.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.652 ' HA ' HD11 ' A' ' 21' ' ' ILE . 29.9 t -92.69 -32.68 14.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.461 ' CE ' ' H ' ' A' ' 33' ' ' MET . 0.6 OUTLIER -54.72 -33.35 60.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.6 -24.35 53.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -84.58 -40.23 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.746 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.6 m -94.18 -25.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.746 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.3 m-85 -131.21 42.31 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.87 -161.59 10.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -82.45 -15.93 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -75.48 54.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.28 -42.4 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.53 33.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.4 m -122.06 173.72 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -129.6 105.29 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CB ' HD12 ' A' ' 21' ' ' ILE . 31.1 m -91.66 152.18 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -125.34 166.83 18.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 111.067 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 87.42 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' A' ' 22' ' ' TYR . 15.4 tp -34.38 -45.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.87 96.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 t 62.9 54.96 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 57.4 t -53.25 95.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -133.45 -64.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -129.5 151.01 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.55 159.55 21.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -93.62 155.28 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.62 132.64 54.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.6 m -87.22 98.79 11.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -110.6 96.12 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -58.16 -44.41 87.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 62' ' ' SER . . . -170.14 -172.21 36.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 13.12 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 60' ' ' GLY . 14.6 m -54.72 -51.34 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -55.16 124.4 16.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.49 -179.998 . . . . . . . . 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 1.45 -0.381 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -111.8 -57.57 2.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -45.26 136.1 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.25 -111.81 0.95 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -105.99 -47.53 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.35 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -103.87 153.66 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.77 89.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -84.24 142.03 40.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 131.72 21.8 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.52 ' CE ' ' N ' ' A' ' 18' ' ' LYS . 15.6 mtp -137.58 149.72 46.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' N ' HD11 ' A' ' 19' ' ' ILE . 11.0 t -66.39 151.4 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -94.54 -48.72 5.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -48.01 -44.14 30.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -77.94 175.2 10.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -96.36 67.05 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.63 54.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' C ' ' HE2' ' A' ' 10' ' ' MET . 22.7 tp10 -106.29 123.47 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.52 ' N ' ' CE ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -50.5 157.38 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 30' ' ' THR . 45.0 mm -91.43 103.88 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -69.2 -58.13 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.991 HD12 HG21 ' A' ' 45' ' ' VAL . 9.6 pt -112.89 166.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.879 ' HB2' HD13 ' A' ' 48' ' ' LEU . 39.0 t80 -117.42 136.45 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.527 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 11.3 t -86.69 137.76 32.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.894 HD21 ' HB2' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -95.72 -55.87 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 96.3 m -36.06 -66.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.716 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.4 p -86.45 1.13 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 26' ' ' CYS . 9.5 pt-20 46.33 54.93 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.716 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.1 m -138.76 127.28 13.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 99.5 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' ' 19' ' ' ILE . 15.2 t -128.11 159.62 34.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -60.03 -174.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 36' ' ' VAL . 29.2 t -96.74 -39.29 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.479 ' HE1' ' HB3' ' A' ' 32' ' ' SER . 0.0 OUTLIER -50.05 -31.64 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.8 m -79.22 -23.71 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.748 ' HD3' HG13 ' A' ' 45' ' ' VAL . 17.8 tptp -85.9 -43.46 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.815 HG23 ' CD2' ' A' ' 37' ' ' PHE . 18.5 m -85.07 -33.36 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.815 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.5 m-85 -133.77 48.41 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.47 177.77 30.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.617 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -56.35 -16.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 111.111 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 74.2 m-70 -82.17 66.21 7.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -101.55 -43.77 5.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.92 30.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.481 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 23.8 m -119.23 -175.62 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' O ' HD22 ' A' ' 24' ' ' LEU . 13.3 pt-20 -147.32 110.98 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 21' ' ' ILE . 20.9 m -88.3 155.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.894 ' HB2' HD21 ' A' ' 24' ' ' LEU . . . -130.01 164.06 43.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.706 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.73 82.38 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.879 HD13 ' HB2' ' A' ' 22' ' ' TYR . 14.2 tp -33.24 -43.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.79 93.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 t 74.47 53.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 48' ' ' LEU . 51.8 t -59.21 99.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -127.96 -58.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -88.93 127.2 35.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.79 60.24 4.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.431 ' HA ' ' NE2' ' A' ' 55' ' ' GLN . 6.5 tp60 -66.39 125.48 25.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HD3' ' N ' ' A' ' 56' ' ' LYS . 3.8 mppt? -85.42 147.11 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -114.28 -16.45 12.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -121.1 128.6 52.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.98 155.54 40.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.66 -171.01 21.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -10.68 29.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.2 t 63.48 40.96 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.5 m -45.51 132.19 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.449 -179.98 . . . . . . . . 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 -0.327 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -84.46 131.33 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.358 . . . . 0.0 110.877 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p 39.98 42.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.36 98.66 0.94 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -92.74 98.68 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -80.68 -52.79 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.82 54.04 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -64.99 160.13 58.67 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 148.96 66.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 87.6 mmm -132.35 153.9 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' LYS . 33.8 t -72.57 111.36 7.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' CYS . 36.8 mtmt -37.41 -50.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -63.62 -59.19 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -86.53 90.6 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -48.35 -46.13 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.73 83.35 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -174.57 113.89 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -69.59 121.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' LYS . 44.8 mm -34.19 113.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -88.39 -42.61 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 32' ' ' SER . 24.7 pt -134.96 174.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 23' ' ' CYS . 33.4 t80 -125.41 132.88 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 11.7 t -82.48 152.26 26.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 44' ' ' GLU . 3.3 mp -110.11 -58.59 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.9 m -36.59 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.79 ' SG ' HG22 ' A' ' 28' ' ' VAL . 17.5 p -69.91 -19.24 63.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 69.44 53.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.79 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.6 m -140.61 130.01 13.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 99.27 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 23' ' ' CYS . 4.2 t -123.45 151.27 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.68 167.38 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.67 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 m -64.23 -47.66 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.471 ' O ' ' C ' ' A' ' 37' ' ' PHE . 24.1 mmt -37.98 -37.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 56.4 m -74.31 -46.82 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.738 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.1 tptp -62.52 -52.74 62.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.693 HG23 ' CD2' ' A' ' 37' ' ' PHE . 34.2 m -78.91 -34.92 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.693 ' CD2' HG23 ' A' ' 36' ' ' VAL . 6.7 m-85 -132.28 63.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -168.48 177.96 42.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.8 pp -61.43 -22.99 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.164 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 39' ' ' ILE . 91.7 m-70 -74.13 68.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -101.62 -49.03 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.5 33.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 30.2 m -115.84 -174.22 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 24' ' ' LEU . 42.4 mt-10 -135.34 114.88 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.738 HG13 ' HD3' ' A' ' 35' ' ' LYS . 27.7 m -104.64 146.32 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -138.5 168.96 13.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.848 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.5 Cg_endo -69.78 106.29 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.658 2.238 . . . . 0.0 112.338 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.0 mm? -30.16 -47.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -54.61 -56.41 19.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' PRO . 5.8 t -107.94 88.82 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 48' ' ' LEU . 93.4 t -95.65 104.84 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 45.2 t80 60.36 45.26 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -126.55 -44.63 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.9 -88.0 0.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -69.0 140.86 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' THR . 10.8 ttpt -142.14 146.29 35.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' LYS . 77.2 m -36.17 143.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -95.11 -56.77 2.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.9 p -41.6 138.9 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.51 124.42 2.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.82 19.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.383 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -153.26 155.97 37.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.7 p -102.03 84.77 2.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.485 179.985 . . . . . . . . 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 -0.313 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -55.61 -49.66 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -75.3 121.05 21.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.58 163.33 13.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -102.22 82.56 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 p -171.0 153.45 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.9 172.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -88.02 134.68 34.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.72 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.02 49.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.73 2.287 . . . . 0.0 112.319 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 mtp -109.22 147.0 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' N ' HD11 ' A' ' 19' ' ' ILE . 44.8 t -48.27 142.58 5.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -49.68 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -57.28 -56.3 23.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -66.07 -173.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -135.63 101.1 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 64.08 55.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -126.45 109.5 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -45.29 143.54 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 11' ' ' CYS . 45.1 mm -77.16 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -92.41 -39.02 11.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.731 HD12 HG21 ' A' ' 45' ' ' VAL . 11.1 pt -135.06 175.27 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.526 ' CE1' HD12 ' A' ' 24' ' ' LEU . 19.7 t80 -122.83 128.3 50.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.9 t -82.31 149.43 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -107.58 -60.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 66.4 m -31.45 -67.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' SG ' HG22 ' A' ' 28' ' ' VAL . 8.8 p -79.32 -14.93 58.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.5 mt-10 64.94 53.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.452 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -144.75 127.61 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 111.112 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 53.5 Cg_endo -69.77 83.05 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -104.98 153.33 21.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.5 p -53.83 -176.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.564 ' O ' HG22 ' A' ' 36' ' ' VAL . 22.7 t -97.58 -36.69 10.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.5 mmt -50.52 -30.15 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.5 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 55.9 m -79.52 -40.31 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.728 ' HD3' HG13 ' A' ' 45' ' ' VAL . 12.6 tptp -64.83 -49.25 71.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.803 HG23 ' CD2' ' A' ' 37' ' ' PHE . 30.9 m -81.36 -33.12 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CD2' HG23 ' A' ' 36' ' ' VAL . 8.9 m-85 -134.85 61.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -167.65 -175.03 37.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.46 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.8 pp -60.1 -27.53 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.525 ' N ' HD12 ' A' ' 39' ' ' ILE . 91.2 m-70 -70.24 67.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -101.65 -49.37 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.38 33.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.447 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.9 m -118.87 178.02 4.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.79 104.9 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.731 HG21 HD12 ' A' ' 21' ' ' ILE . 30.7 m -87.67 156.4 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -142.34 160.57 54.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.765 ' O ' HG23 ' A' ' 51' ' ' VAL . 53.7 Cg_endo -69.76 105.69 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -36.11 -31.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 47' ' ' PRO . 4.3 mm100 -34.88 -54.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -124.49 -72.73 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 47' ' ' PRO . 43.9 t 49.56 51.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -122.49 -47.74 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.22 171.64 13.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 57.12 76.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -76.8 134.89 38.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.94 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.93 135.14 18.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 38.8 m -147.57 149.34 32.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -40.81 118.23 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.0 t -124.57 148.91 47.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 61' ' ' PRO . . . -123.27 104.02 0.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.424 ' HD2' ' HA2' ' A' ' 60' ' ' GLY . 53.7 Cg_endo -69.76 154.03 68.22 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -104.6 146.58 28.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -132.09 -62.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.465 -179.955 . . . . . . . . 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 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -48.96 -57.94 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -50.83 116.87 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.71 164.5 37.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -117.19 81.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.356 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -132.43 93.29 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.62 -128.0 23.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -134.2 152.06 77.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 110.84 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 179.37 3.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 34.8 mtp -119.39 163.85 16.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -75.94 107.79 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -46.17 -47.06 17.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -50.58 -47.29 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -92.32 155.7 17.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.12 -59.57 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 5.7 m-20 -122.0 79.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 13.7 mp0 -153.34 105.42 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -59.09 152.3 20.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mm -71.89 114.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.407 ' OD1' ' HB2' ' A' ' 32' ' ' SER . 1.5 p30 -91.55 -39.11 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.648 HD12 ' HB ' ' A' ' 45' ' ' VAL . 47.0 pt -130.71 175.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.6 ' HB2' HD13 ' A' ' 48' ' ' LEU . 15.7 t80 -128.58 137.82 51.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.56 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 10.4 t -86.35 148.86 25.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD12 ' CE2' ' A' ' 22' ' ' TYR . 1.1 mp -107.27 -62.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -30.61 -66.8 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.856 ' SG ' HG22 ' A' ' 28' ' ' VAL . 14.2 p -81.23 -13.95 58.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mm-40 64.21 53.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.856 HG22 ' SG ' ' A' ' 26' ' ' CYS . 4.4 m -139.49 127.21 13.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 89.38 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -115.5 156.59 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.7 p -61.9 175.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 21' ' ' ILE . 22.3 t -80.36 -37.97 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -40.18 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HA ' ' HA3' ' A' ' 38' ' ' GLY . 67.7 m -72.9 -27.98 62.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.677 ' HD3' HG13 ' A' ' 45' ' ' VAL . 2.0 tptm -77.34 -44.98 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.639 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.7 m -82.25 -38.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CD2' HG23 ' A' ' 36' ' ' VAL . 26.9 m-85 -104.02 -57.0 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 34' ' ' CYS . . . -48.07 177.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.497 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.434 ' C ' HD12 ' A' ' 39' ' ' ILE . 2.7 pp -78.95 8.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.401 ' O ' ' HD2' ' A' ' 35' ' ' LYS . 69.1 m-70 -88.01 29.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -76.26 -41.98 47.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -19.77 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 42.7 m -70.99 -177.5 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -129.83 105.32 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.677 HG13 ' HD3' ' A' ' 35' ' ' LYS . 35.3 m -88.41 151.18 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -134.06 160.1 69.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.3 Cg_endo -69.73 92.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 22' ' ' TYR . 13.0 tp -35.53 -53.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 49' ' ' GLN . 3.6 tp60 -63.86 94.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t 73.21 47.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.5 t -39.24 -49.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -54.93 129.1 36.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.41 43.88 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.29 -161.56 37.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -113.64 165.88 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -99.07 121.89 41.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 t -76.27 142.52 41.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -68.41 91.61 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.1 p -97.15 133.85 41.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.68 -178.4 38.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.4 60.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.9 p -128.81 141.33 51.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 t -90.54 98.19 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.496 -179.955 . . . . . . . . 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 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 p -83.6 110.4 18.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -101.8 115.66 31.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.77 36.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 m -99.43 46.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -90.26 -35.66 15.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.77 -166.52 12.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -68.51 151.75 97.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 119.25 6.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.487 ' HE1' ' O ' ' A' ' 15' ' ' GLU . 13.6 ptm -83.74 168.82 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HB2' HD13 ' A' ' 19' ' ' ILE . 10.3 t -80.86 97.93 7.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -49.26 -44.58 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -46.32 -45.39 17.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 33' ' ' MET . 64.0 m80 -97.21 179.36 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' O ' ' HE1' ' A' ' 10' ' ' MET . 25.5 mt-10 -106.2 -66.77 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 6.2 p-10 -115.64 84.19 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -128.47 -13.67 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 19' ' ' ILE . 2.0 mptm? 34.32 47.16 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 21' ' ' ILE . 33.6 mm 31.31 54.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.483 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -30.51 -48.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.681 ' O ' HG22 ' A' ' 19' ' ' ILE . 12.3 pt -127.06 174.71 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.738 ' CE1' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -125.94 137.8 53.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.585 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.5 t -81.2 142.56 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.1 mp -100.29 -63.02 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 24' ' ' LEU . 62.9 m -29.39 -76.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.3 p -68.78 -17.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' LEU . 29.6 mt-10 67.83 53.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.59 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.7 m -142.8 130.34 11.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 101.45 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' CYS . 13.0 t -129.91 152.84 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.3 p -60.14 176.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 36' ' ' VAL . 3.4 t -88.34 -28.02 21.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.575 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 7.1 mmt -58.16 -32.47 68.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.6 m -80.82 -21.27 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.68 ' HE3' HG13 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -86.62 -54.54 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.785 HG23 ' CD2' ' A' ' 37' ' ' PHE . 34.6 m -83.61 -24.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.785 ' CD2' HG23 ' A' ' 36' ' ' VAL . 10.4 m-85 -134.86 49.8 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -157.01 -143.72 3.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.6 pp -95.11 -32.46 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.447 ' N ' HD12 ' A' ' 39' ' ' ILE . 88.7 m-70 -65.77 71.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' ILE . 23.3 mmmt -101.29 -39.89 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 33.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 34.1 m -120.77 178.86 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' CD ' ' O ' ' A' ' 43' ' ' CYS . 11.2 mm-40 -132.32 112.84 12.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.608 HG21 ' HE2' ' A' ' 35' ' ' LYS . 26.0 m -91.44 156.45 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -149.26 162.61 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.658 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.0 Cg_endo -69.77 108.43 2.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.354 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.2 mm? -29.89 -50.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -83.8 128.19 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t 61.23 53.09 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 48' ' ' LEU . 48.3 t -70.76 101.6 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.177 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -133.16 134.28 43.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.496 HE22 HD23 ' A' ' 24' ' ' LEU . 86.3 mm-40 -47.85 158.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.85 148.95 7.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 58.46 43.51 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -57.81 158.89 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 57' ' ' THR . 15.3 t -150.1 125.55 10.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -155.31 130.22 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 p -66.73 127.91 34.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.63 112.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.3 t -67.6 123.98 21.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.4 t -111.39 88.32 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.499 -179.957 . . . . . . . . 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 1.452 -0.286 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -116.97 -58.8 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -121.86 83.06 2.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.99 178.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -136.97 140.56 42.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.867 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -99.08 143.75 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.74 134.98 9.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -58.32 138.09 84.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 160.44 49.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.5 mtp -103.42 162.74 12.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.416 ' N ' HD11 ' A' ' 19' ' ' ILE . 11.7 t -72.79 112.46 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -38.07 -61.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.71 -48.54 63.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -114.34 83.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -66.06 -41.29 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.406 ' O ' ' CE ' ' A' ' 18' ' ' LYS . 5.2 m-20 -60.72 -47.11 87.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -71.84 153.86 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -93.4 173.54 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.416 HD11 ' N ' ' A' ' 11' ' ' CYS . 49.8 mm -87.88 106.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -84.7 -43.76 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.685 HD11 ' HA ' ' A' ' 32' ' ' SER . 17.8 pt -118.97 174.15 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 24' ' ' LEU . 76.2 t80 -133.94 126.54 30.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 17.7 t -80.65 138.9 36.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 22' ' ' TYR . 2.4 mm? -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.1 m -38.9 -61.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 28' ' ' VAL . 7.9 p -89.81 -9.82 47.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 64.04 53.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 26' ' ' CYS . 2.5 m -140.44 131.25 13.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.099 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 96.25 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 23' ' ' CYS . 10.0 t -117.28 165.52 13.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -85.2 -175.21 5.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.685 ' HA ' HD11 ' A' ' 21' ' ' ILE . 22.9 m -82.87 -44.41 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -45.51 -38.01 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.431 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 66.4 m -75.51 -39.11 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HD2' HG13 ' A' ' 36' ' ' VAL . 8.3 tmtt? -65.1 -54.64 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 37' ' ' PHE . 27.1 m -81.8 -35.94 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 36' ' ' VAL . 4.7 m-85 -124.99 60.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -169.64 179.75 41.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.556 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.6 pp -60.65 -24.37 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' N ' HD12 ' A' ' 39' ' ' ILE . 89.8 m-70 -72.14 66.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -101.02 -49.83 4.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.98 34.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 25.1 m -121.88 178.52 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.88 116.49 17.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.618 HG11 HD12 ' A' ' 21' ' ' ILE . 12.6 m -102.48 138.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.875 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -132.94 170.4 11.5 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.875 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.4 Cg_endo -69.76 110.69 2.62 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 22' ' ' TYR . 3.8 mm? -31.68 -36.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' PRO . 27.1 tp60 -70.56 91.55 0.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.26 54.96 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 51' ' ' VAL . 19.5 m -56.83 96.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -100.74 140.74 34.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -72.5 175.31 6.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.36 46.7 0.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -136.48 158.77 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.959 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -111.22 40.05 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 t -87.94 -38.05 15.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -38.86 -52.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.7 t -175.0 105.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 49.12 -178.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.529 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.248 . . . . 0.0 112.36 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 t -42.16 120.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.1 t -46.88 -56.39 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.466 179.991 . . . . . . . . 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 1.452 -0.286 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -162.04 118.59 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -60.78 143.44 54.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.87 66.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -64.74 151.74 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.781 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -149.08 160.42 43.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.41 175.29 22.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 46.5 p-80 -105.05 104.02 44.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 8' ' ' HIS . 53.5 Cg_endo -69.75 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.1 mtp -52.59 157.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -45.95 105.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -47.23 -46.77 24.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' CD ' ' SG ' ' A' ' 34' ' ' CYS . 30.1 mt-10 -46.22 -52.55 12.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -92.4 162.25 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.68 -56.27 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.86 80.77 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -123.45 118.25 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -75.41 99.67 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 49.2 mm -33.6 110.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -93.54 -46.26 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.727 HD12 HG21 ' A' ' 45' ' ' VAL . 29.4 pt -124.46 174.27 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.738 ' CE1' HD12 ' A' ' 24' ' ' LEU . 4.4 t80 -126.51 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.536 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 9.7 t -83.73 145.8 28.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 22' ' ' TYR . 1.0 OUTLIER -103.44 -61.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 24' ' ' LEU . 76.4 m -29.67 -66.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.8 ' SG ' HG22 ' A' ' 28' ' ' VAL . 6.8 p -81.56 -16.65 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 24' ' ' LEU . 25.0 mt-10 67.37 54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.8 HG22 ' SG ' ' A' ' 26' ' ' CYS . 9.6 m -141.28 127.49 11.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.24 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ILE . 12.7 t -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -62.73 -177.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.602 ' HA ' HD11 ' A' ' 21' ' ' ILE . 21.0 t -93.04 -32.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -33.26 29.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' SG ' ' CD ' ' A' ' 13' ' ' GLU . 69.1 m -79.37 -30.63 42.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 40' ' ' HIS . 11.5 tmtt? -75.4 -50.82 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.782 HG23 ' CD2' ' A' ' 37' ' ' PHE . 35.4 m -81.42 -31.58 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.782 ' CD2' HG23 ' A' ' 36' ' ' VAL . 5.0 m-85 -133.48 58.1 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -166.49 178.64 40.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 40' ' ' HIS . 2.7 pp -53.56 -31.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.486 ' N ' HD12 ' A' ' 39' ' ' ILE . 92.3 m-70 -68.8 69.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -100.93 -50.19 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.83 33.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.491 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 22.5 m -118.51 179.87 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -141.82 109.41 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.727 HG21 HD12 ' A' ' 21' ' ' ILE . 14.4 m -87.43 159.97 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -142.52 158.77 59.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 54.2 Cg_endo -69.75 103.75 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 47' ' ' PRO . 4.4 mm? -27.89 -44.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' PRO . 31.2 tt0 -53.33 -62.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.4 m -107.51 83.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' PHE . 92.9 t -105.65 -47.78 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' VAL . 34.6 m-85 -35.46 -46.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -121.27 92.92 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.32 179.98 15.95 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.81 150.16 48.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.91 142.31 36.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 t -117.21 39.88 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -105.07 92.34 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 t -124.61 155.71 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.75 -115.32 2.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.87 3.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.281 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 t -49.11 -44.42 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.5 m -47.77 -53.61 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.504 179.987 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -117.54 85.46 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -81.72 123.44 28.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.37 -50.37 2.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -41.05 -44.91 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 p -42.29 122.12 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.5 -134.81 8.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -138.36 154.3 73.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 137.99 36.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.369 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.7 mtp -71.77 164.38 26.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' N ' HD11 ' A' ' 19' ' ' ILE . 45.0 t -46.81 156.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.9 -44.13 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -55.64 7.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -86.89 163.49 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 12.5 pt-20 -126.54 -42.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 6.1 m-20 -74.08 -47.79 34.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.73 143.61 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -95.79 172.62 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 11' ' ' CYS . 47.4 mm -76.07 117.41 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -95.41 -41.05 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.875 HD12 ' CB ' ' A' ' 45' ' ' VAL . 44.7 pt -134.23 174.32 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.61 ' CE1' HD12 ' A' ' 24' ' ' LEU . 4.3 t80 -123.94 133.86 53.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 10.4 t -81.88 142.83 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.61 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -98.93 -61.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' LEU . 55.1 m -32.56 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.4 p -73.15 -11.89 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 5.7 mt-10 61.22 54.65 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.3 m -140.13 127.95 12.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 92.34 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.6 t -119.01 155.28 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.7 p -55.27 -174.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.429 ' HB3' ' CE ' ' A' ' 33' ' ' MET . 5.2 t -100.23 -35.53 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.429 ' CE ' ' HB3' ' A' ' 32' ' ' SER . 25.7 mmt -51.33 -31.63 22.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLY . 48.1 m -75.48 -41.03 56.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.814 HG23 ' CD2' ' A' ' 37' ' ' PHE . 33.4 m -80.69 -33.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.814 ' CD2' HG23 ' A' ' 36' ' ' VAL . 9.1 m-85 -135.03 62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -165.3 -163.94 19.66 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -84.06 9.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -107.05 54.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -93.56 -44.2 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.14 32.59 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.542 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 31.1 m -121.57 -175.94 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 24' ' ' LEU . 14.1 mt-10 -136.52 100.92 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.875 ' CB ' HD12 ' A' ' 21' ' ' ILE . 35.7 m -92.34 148.38 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.841 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -113.91 168.87 7.22 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.556 0.693 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.841 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.6 Cg_endo -69.77 16.67 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 22' ' ' TYR . 23.9 tp 41.73 54.97 3.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.488 ' O ' ' C ' ' A' ' 50' ' ' SER . 17.0 tt0 -140.58 112.87 7.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 49' ' ' GLN . 70.5 m 31.38 47.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 51' ' ' VAL . 16.5 m -70.4 84.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -77.33 -53.3 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' GLY . 4.7 tp-100 -111.06 39.82 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLN . . . 37.34 80.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -57.13 151.52 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.93 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -94.83 138.56 32.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.6 p -50.2 130.07 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -97.92 82.1 2.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 t -156.42 161.07 40.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 40.92 -159.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -173.82 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.359 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -116.45 42.36 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.0 t -80.57 89.08 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.5 179.976 . . . . . . . . 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 -0.294 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -59.59 104.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 m 61.81 44.14 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.67 97.9 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.2 p -112.2 45.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -62.06 153.14 30.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.99 126.96 2.88 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.653 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 t-160 -65.09 -51.41 55.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 8' ' ' HIS . 54.0 Cg_endo -69.73 124.95 11.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mmt -146.78 146.82 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.27 144.28 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.01 22.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.46 -36.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 17' ' ' GLU . 63.4 m80 -108.69 174.92 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 16' ' ' ASP . 3.0 pp20? -116.21 -48.42 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.445 ' N ' ' CD ' ' A' ' 15' ' ' GLU . 14.2 m-20 -93.61 -33.31 13.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 14' ' ' HIS . 31.1 mm-40 -65.17 105.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -75.01 165.9 24.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 29' ' ' PRO . 49.4 mm -66.92 127.8 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -113.86 -45.3 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.751 HD11 ' HA ' ' A' ' 32' ' ' SER . 43.8 pt -119.66 172.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CE1' ' O ' ' A' ' 23' ' ' CYS . 31.6 t80 -124.43 133.05 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.557 ' HB2' HG22 ' A' ' 30' ' ' THR . 9.1 t -85.14 149.36 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -105.02 -61.39 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.0 m -33.62 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' HG22 ' A' ' 28' ' ' VAL . 10.8 p -73.68 -14.24 61.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 63.24 54.23 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.492 HG22 ' SG ' ' A' ' 26' ' ' CYS . 1.4 m -140.56 131.51 13.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.614 0.721 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.578 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.7 Cg_endo -69.78 81.87 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.345 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 23' ' ' CYS . 10.0 t -108.32 153.53 23.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -63.21 179.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.751 ' HA ' HD11 ' A' ' 21' ' ' ILE . 4.9 t -84.04 -41.01 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.426 ' CE ' ' H ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -47.18 -39.59 14.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' O ' ' CA ' ' A' ' 38' ' ' GLY . 52.5 m -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 35' ' ' LYS . 1.4 tmmt? -77.61 -49.2 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' CG ' ' A' ' 37' ' ' PHE . 20.7 m -76.58 -39.55 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CG ' HG23 ' A' ' 36' ' ' VAL . 26.6 m-85 -104.17 -56.96 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.467 ' CA ' ' O ' ' A' ' 34' ' ' CYS . . . -47.49 178.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.3 1.32 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.354 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -80.86 52.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -91.89 -41.63 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.8 32.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.505 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 33.7 m -120.72 -175.11 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -138.84 107.5 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.536 ' CB ' HD12 ' A' ' 21' ' ' ILE . 27.5 m -97.72 146.48 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.749 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -120.88 165.35 19.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.749 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.8 Cg_endo -69.76 91.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.51 ' CD1' ' HB2' ' A' ' 22' ' ' TYR . 9.5 tp -34.94 -36.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 47' ' ' PRO . 4.5 mp0 -58.71 86.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.9 m 62.89 48.92 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 48' ' ' LEU . 79.4 t -38.54 102.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -103.07 -63.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.82 -61.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.44 127.83 3.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -101.66 141.3 34.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -73.18 126.97 31.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -74.59 131.77 41.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -146.33 110.94 5.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.3 p -64.18 -55.04 24.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.3 112.4 3.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.6 p -81.33 44.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -104.48 99.76 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.506 -179.982 . . . . . . . . 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 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -54.94 112.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -116.41 107.34 14.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.69 47.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -155.32 107.09 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -161.4 147.2 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.03 -106.18 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -173.62 134.05 0.62 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.578 0.704 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 166.98 25.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 11' ' ' CYS . 4.1 ppp? -91.17 153.74 19.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.432 ' O ' ' SD ' ' A' ' 10' ' ' MET . 11.6 t -51.63 98.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 14.7 pttm -45.16 -37.82 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 8.7 tp10 -52.79 -44.47 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 17' ' ' GLU . 32.8 m80 -99.49 155.58 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -100.43 -49.38 4.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -111.76 43.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 14' ' ' HIS . 10.1 tp10 -133.97 91.72 2.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -64.56 139.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mm -40.14 112.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -95.86 -43.05 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.769 HD12 HG11 ' A' ' 45' ' ' VAL . 32.5 pt -127.6 175.37 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.782 ' HB2' HD13 ' A' ' 48' ' ' LEU . 13.2 t80 -132.06 130.07 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 43' ' ' CYS . 9.3 t -81.87 146.09 30.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD12 ' CE1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -104.79 -61.51 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 24' ' ' LEU . 53.2 m -30.62 -67.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.813 ' SG ' HG22 ' A' ' 28' ' ' VAL . 11.8 p -79.85 -12.95 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 45.3 mt-10 63.46 53.79 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.813 HG22 ' SG ' ' A' ' 26' ' ' CYS . 3.7 m -141.91 128.78 11.31 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 101.55 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -126.33 150.24 48.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' CE1' ' A' ' 14' ' ' HIS . 14.3 p -63.17 178.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m -82.85 -34.09 26.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -54.91 -35.51 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.0 m -76.98 -23.7 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HE2' HG13 ' A' ' 36' ' ' VAL . 13.4 ttpt -83.51 -41.29 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.554 HG13 ' HE2' ' A' ' 35' ' ' LYS . 19.2 m -97.72 -36.39 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CG ' HG23 ' A' ' 36' ' ' VAL . 20.7 m-85 -116.01 41.45 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 -123.61 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.436 ' H ' HD13 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -133.82 7.0 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.16 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -101.08 54.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -95.6 -40.0 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.33 65.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.49 ' HB3' ' SG ' ' A' ' 23' ' ' CYS . 51.6 m -70.07 -174.42 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' HB2' ' A' ' 24' ' ' LEU . 11.9 pt-20 -136.91 107.46 6.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.769 HG11 HD12 ' A' ' 21' ' ' ILE . 34.2 m -86.96 153.82 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.727 ' HB1' ' HD2' ' A' ' 47' ' ' PRO . . . -131.81 164.63 41.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HD2' ' HB1' ' A' ' 46' ' ' ALA . 53.3 Cg_endo -69.75 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 22' ' ' TYR . 14.5 tp -32.29 -60.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' LEU . 13.4 mm-40 -36.2 -54.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 m -128.41 80.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.503 ' O ' HG12 ' A' ' 51' ' ' VAL . 58.9 t -72.99 64.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -118.88 -44.76 2.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -144.35 159.31 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.21 72.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.17 -54.61 4.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -71.13 155.11 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 59' ' ' SER . 79.5 m -145.11 135.8 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -40.71 -46.98 2.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' GLY . 58.3 p -85.12 158.45 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' SER . . . -34.73 103.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' HA2' ' A' ' 60' ' ' GLY . 53.1 Cg_endo -69.78 104.52 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.2 t -46.29 141.0 3.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -97.75 -43.79 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.512 -179.959 . . . . . . . . 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_